   FDMNES program, Revision 2 July 2009                                                                                             
   Date = 02 07 2009                                                                                                                
   Time = 14 h 17 mn 56 s                                                                                                           
                                                                                                                                    
   Co K edge in Ca3Co2O6                                                                                                            
                                                                                                                                    
 Threshold: Cobalt K1 edge                                                                                                          
 Radius =  3.50                                                                                                                     
 icheck = 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1                                                                           
 Range = -14.000   0.100  -6.000   0.200   0.000   0.500  10.000   1.000  30.000                                                    
                                                                                                                                    
 Dipole component                                                                                                                   
 Quadrupole component                                                                                                               
 Non-relativistic calculation                                                                                                       
 Non-magnetic calculation                                                                                                           
 Real bases                                                                                                                         
 Multiple scattering calculation (Green)                                                                                            
    Optimized type muffin-tin radius                                                                                                
    Overlap of the muffin-tin radius  =  0.10                                                                                       
    Limitation on the maximum value of l                                                                                            
                                                                                                                                    
 Calculation in double precision                                                                                                    
                                                                                                                                    
 DAFS : (h, k, l)  Polarization   Angle_i   Angle_o  Azimuth                                                                        
         1  3  1   sigma pi        0.000    90.000      scan                                                                        
         1  3  1   pi    sigma    90.000     0.000      scan                                                                        
                                                                                                                                    
 ngroup =   66, ntype = 3                                                                                                           
   Crystal                                                                                                                          
   Space Group = R-3c:H                                                                                                             
   a, b, c =  9.06100  9.06100 10.36700                                                                                             
   alfa, beta, gamma =   90.000   90.000  120.000                                                                                   
    typ    posx      posy      posz      popats                                                                                     
     1   0.00000   0.00000   0.25000    7.0000  2.0000                                                                              
     1   0.00000   0.00000   0.75000    7.0000  2.0000                                                                              
     1   0.66667   0.33333   0.58333    7.0000  2.0000                                                                              
     1   0.66667   0.33333   0.08333    7.0000  2.0000                                                                              
     1   0.33333   0.66667   0.91667    7.0000  2.0000                                                                              
     1   0.33333   0.66667   0.41667    7.0000  2.0000                                                                              
     1   0.00000   0.00000   0.00000    7.0000  2.0000                                                                              
     1   0.00000   0.00000   0.50000    7.0000  2.0000                                                                              
     1   0.66667   0.33333   0.33333    7.0000  2.0000                                                                              
     1   0.66667   0.33333   0.83333    7.0000  2.0000                                                                              
     1   0.33333   0.66667   0.66667    7.0000  2.0000                                                                              
     1   0.33333   0.66667   0.16667    7.0000  2.0000                                                                              
     2   0.36900   0.00000   0.25000                                                                                                
     2   0.00000   0.36900   0.25000                                                                                                
     2   0.63100   0.63100   0.25000                                                                                                
     2   0.63100   0.00000   0.75000                                                                                                
     2   0.00000   0.63100   0.75000                                                                                                
     2   0.36900   0.36900   0.75000                                                                                                
     2   0.03567   0.33333   0.58333                                                                                                
     2   0.66667   0.70233   0.58333                                                                                                
     2   0.29767   0.96433   0.58333                                                                                                
     2   0.29767   0.33333   0.08333                                                                                                
     2   0.66667   0.96433   0.08333                                                                                                
     2   0.03567   0.70233   0.08333                                                                                                
     2   0.70233   0.66667   0.91667                                                                                                
     2   0.33333   0.03567   0.91667                                                                                                
     2   0.96433   0.29767   0.91667                                                                                                
     2   0.96433   0.66667   0.41667                                                                                                
     2   0.33333   0.29767   0.41667                                                                                                
     2   0.70233   0.03567   0.41667                                                                                                
     3   0.17670   0.02380   0.11380                                                                                                
     3   0.97620   0.15290   0.11380                                                                                                
     3   0.84710   0.82330   0.11380                                                                                                
     3   0.15290   0.97620   0.38620                                                                                                
     3   0.82330   0.84710   0.38620                                                                                                
     3   0.02380   0.17670   0.38620                                                                                                
     3   0.82330   0.97620   0.88620                                                                                                
     3   0.02380   0.84710   0.88620                                                                                                
     3   0.15290   0.17670   0.88620                                                                                                
     3   0.84710   0.02380   0.61380                                                                                                
     3   0.17670   0.15290   0.61380                                                                                                
     3   0.97620   0.82330   0.61380                                                                                                
     3   0.84337   0.35713   0.44713                                                                                                
     3   0.64287   0.48623   0.44713                                                                                                
     3   0.51377   0.15663   0.44713                                                                                                
     3   0.81957   0.30953   0.71953                                                                                                
     3   0.48997   0.18043   0.71953                                                                                                
     3   0.69047   0.51003   0.71953                                                                                                
     3   0.48997   0.30953   0.21953                                                                                                
     3   0.69047   0.18043   0.21953                                                                                                
     3   0.81957   0.51003   0.21953                                                                                                
     3   0.51377   0.35713   0.94713                                                                                                
     3   0.84337   0.48623   0.94713                                                                                                
     3   0.64287   0.15663   0.94713                                                                                                
     3   0.51003   0.69047   0.78047                                                                                                
     3   0.30953   0.81957   0.78047                                                                                                
     3   0.18043   0.48997   0.78047                                                                                                
     3   0.48623   0.64287   0.05287                                                                                                
     3   0.15663   0.51377   0.05287                                                                                                
     3   0.35713   0.84337   0.05287                                                                                                
     3   0.15663   0.64287   0.55287                                                                                                
     3   0.35713   0.51377   0.55287                                                                                                
     3   0.48623   0.84337   0.55287                                                                                                
     3   0.18043   0.69047   0.28047                                                                                                
     3   0.51003   0.81957   0.28047                                                                                                
     3   0.30953   0.48997   0.28047                                                                                                
                                                                                                                                    
 Hedin and Lundqvist exchange-correlation potential                                                                                 
 E_imag =    0.100 eV                                                                                                               
                                                                                                                                    
 Self consistent calculation                                                                                                        
   Radius used for the self-consistent part =   3.500 A                                                                             
   Maximum number of iteration =   1                                                                                                
   Weight = 0.000                                                                                                                   
   Delta energy for convergence =  1.000 eV / atom                                                                                  
   Non excited absorbing atom in this part                                                                                          
                                                                                                                                    
 Sequential calculation                                                                                                             
                                                                                                                                    
 Atom type  1,  Z = 27   Non relativistic atomic calculation                                                                        
   n  l     pop                                                                                                                     
   3  0    2.000                                                                                                                    
   3  1    6.000                                                                                                                    
   4  0    2.000                                                                                                                    
   3  2    7.000                                                                                                                    
                                                                                                                                    
 Atom type  2,  Z = 20   Non relativistic atomic calculation                                                                        
   n  l     pop                                                                                                                     
   3  0    2.000                                                                                                                    
   3  1    6.000                                                                                                                    
   4  0    2.000                                                                                                                    
                                                                                                                                    
 Atom type  3,  Z =  8   Non relativistic atomic calculation                                                                        
   n  l     pop                                                                                                                     
   1  0    2.000                                                                                                                    
   2  0    2.000                                                                                                                    
   2  1    4.000                                                                                                                    
                                                                                                                                    
 FDM atom radius = 1.000 0.933 0.533                                                                                                
                                                                                                                                    
 ---- Symsite ----------------------------------------------------------------------------------------------------------            
                                                                                                                                    
   ipr =  1, Z = 27, natomsym =     6                                                                                               
                                                                                                                                    
  igr      posx     posy     posz          sym    code                                                                              
    1    0.00000  0.00000  0.25000            E     1                                                                               
    2    0.00000  0.00000  0.75000            i    25                                                                               
    3    0.66667  0.33333  0.58333            E     1                                                                               
    4    0.66667  0.33333  0.08333            i    25                                                                               
    5    0.33333  0.66667  0.91667            E     1                                                                               
    6    0.33333  0.66667  0.41667            i    25                                                                               
                                                                                                                                    
   ipr =  2, Z = 27, natomsym =     6                                                                                               
                                                                                                                                    
  igr      posx     posy     posz          sym    code                                                                              
    7    0.00000  0.00000  0.00000            E     1                                                                               
    8    0.00000  0.00000  0.50000          C2x    22                                                                               
    9    0.66667  0.33333  0.33333            E     1                                                                               
   10    0.66667  0.33333  0.83333          C2x    22                                                                               
   11    0.33333  0.66667  0.66667            E     1                                                                               
   12    0.33333  0.66667  0.16667          C2x    22                                                                               
                                                                                                                                    
   ipr =  3, Z = 20, natomsym =    18                                                                                               
                                                                                                                                    
  igr      posx     posy     posz          sym    code                                                                              
   13    0.36900  0.00000  0.25000            E     1                                                                               
   14    0.00000  0.36900  0.25000          C3z    49                                                                               
   15    0.63100  0.63100  0.25000         -C3z    50                                                                               
   16    0.63100  0.00000  0.75000            i    25                                                                               
   17    0.00000  0.63100  0.75000         -S6z    56                                                                               
   18    0.36900  0.36900  0.75000          S6z    55                                                                               
   19    0.03567  0.33333  0.58333            E     1                                                                               
   20    0.66667  0.70233  0.58333          C3z    49                                                                               
   21    0.29767  0.96433  0.58333         -C3z    50                                                                               
   22    0.29767  0.33333  0.08333            i    25                                                                               
   23    0.66667  0.96433  0.08333         -S6z    56                                                                               
   24    0.03567  0.70233  0.08333          S6z    55                                                                               
   25    0.70233  0.66667  0.91667            E     1                                                                               
   26    0.33333  0.03567  0.91667          C3z    49                                                                               
   27    0.96433  0.29767  0.91667         -C3z    50                                                                               
   28    0.96433  0.66667  0.41667            i    25                                                                               
   29    0.33333  0.29767  0.41667         -S6z    56                                                                               
   30    0.70233  0.03567  0.41667          S6z    55                                                                               
                                                                                                                                    
   ipr =  4, Z =  8, natomsym =    36                                                                                               
                                                                                                                                    
  igr      posx     posy     posz          sym    code                                                                              
   31    0.17670  0.02380  0.11380            E     1                                                                               
   32    0.97620  0.15290  0.11380          C3z    49                                                                               
   33    0.84710  0.82330  0.11380         -C3z    50                                                                               
   34    0.15290  0.97620  0.38620          C2x    22                                                                               
   35    0.82330  0.84710  0.38620       C2_120    62                                                                               
   36    0.02380  0.17670  0.38620       C2_060    60                                                                               
   37    0.82330  0.97620  0.88620            i    25                                                                               
   38    0.02380  0.84710  0.88620         -S6z    56                                                                               
   39    0.15290  0.17670  0.88620          S6z    55                                                                               
   40    0.84710  0.02380  0.61380           mx    40                                                                               
   41    0.17670  0.15290  0.61380        d_030    57                                                                               
   42    0.97620  0.82330  0.61380        d_150    63                                                                               
   43    0.84337  0.35713  0.44713            E     1                                                                               
   44    0.64287  0.48623  0.44713          C3z    49                                                                               
   45    0.51377  0.15663  0.44713         -C3z    50                                                                               
   46    0.81957  0.30953  0.71953          C2x    22                                                                               
   47    0.48997  0.18043  0.71953       C2_120    62                                                                               
   48    0.69047  0.51003  0.71953       C2_060    60                                                                               
   49    0.48997  0.30953  0.21953            i    25                                                                               
   50    0.69047  0.18043  0.21953         -S6z    56                                                                               
   51    0.81957  0.51003  0.21953          S6z    55                                                                               
   52    0.51377  0.35713  0.94713           mx    40                                                                               
   53    0.84337  0.48623  0.94713        d_030    57                                                                               
   54    0.64287  0.15663  0.94713        d_150    63                                                                               
   55    0.51003  0.69047  0.78047            E     1                                                                               
   56    0.30953  0.81957  0.78047          C3z    49                                                                               
   57    0.18043  0.48997  0.78047         -C3z    50                                                                               
   58    0.48623  0.64287  0.05287          C2x    22                                                                               
   59    0.15663  0.51377  0.05287       C2_120    62                                                                               
   60    0.35713  0.84337  0.05287       C2_060    60                                                                               
   61    0.15663  0.64287  0.55287            i    25                                                                               
   62    0.35713  0.51377  0.55287         -S6z    56                                                                               
   63    0.48623  0.84337  0.55287          S6z    55                                                                               
   64    0.18043  0.69047  0.28047           mx    40                                                                               
   65    0.51003  0.81957  0.28047        d_030    57                                                                               
   66    0.30953  0.48997  0.28047        d_150    63                                                                               
                                                                                                                                    
 ---- Esdata -----------------------------------------------------------------------------------------------------------            
                                                                                                                                    
 E_edge =  7709.00 eV, WorkF =   3.90 eV                                                                                            

 ---- Init_run ----------------------------------------------------------------------------------------------------------

 Excited atom, type 0,  Z = 27   Non relativistic atomic calculation
   n  l     pop
   3  0    2.000
   3  1    6.000
   4  0    2.000
   3  2    8.000

 Atom type                     Z  n  l  popatv
  0  Dirac                    27  3  2  8.00  4  0  2.00
  1  Dirac                    27  3  2  7.00  4  0  2.00
  2  Dirac                    20
  3  Dirac                     8

 Default or imposed orbital screening :
      When default is used, if the screening orbital is full,
      it is the next one which is filled
   n_screening_orbital = 3
   l_screening_orbital = 2
   Screening = 1.000

 ---- Screening --------------------------------------------------------------------------------------------------------

 iprabs =  1

  ipr  it    charge   popatm(1)  popatm(2)
   0   0    0.00000    8.00000    2.00000
   1   1    0.00000    7.00000    2.00000
   2   1    0.00000    7.00000    2.00000
   3   2    0.00000
   4   3    0.00000

 ---- Natomp_cal --------------------------------------------------------------------------------------------------------

 Cluster radius = 3.50 A, nb. of atom =  18
 Potential sup calculation: cluster radius = 6.00 A, nb. of atom =  77

 ---- Agregat ----------------------------------------------------------------------------------------------------------

 Index of the absorbing atom, iaabs =  1

 Point group : 32       (D3   )

 iopsymc =
                                         E :  1
        C3_111, -C3_111, C3_1-11, -C3_1-11 :  0 0 0 0
      C3_-111, -C3_-111, C3_11-1, -C3_11-1 :  0 0 0 0
                   C2_110, C2_-110, C2_101 :  0 0 0
                  C2_-101, C2_011, C2_0-11 :  0 0 0
                             C4x, C4y, C4z :  0 0 0
                          -C4x, -C4y, -C4z :  0 0 0
                             C2x, C2y, C2z :  1 0 0
                                         i :  0
                             S4x, S4y, S4z :  0 0 0
                          -S4x, -S4y, -S4z :  0 0 0
    iC3_111, -iC3_111, iC3_1-11, -iC3_1-11 :  0 0 0 0
  iC3_-111, -iC3_-111, iC3_11-1, -iC3_11-1 :  0 0 0 0
                                mx, my, mz :  0 0 0
                       d_011, d_101, d_110 :  0 0 0
                    d_01-1, d_10-1, d_1-10 :  0 0 0
                      C3z, -C3z, C6z, -C6z :  1 1 0 0
                      S3z, -S3z, S6z, -S6z :  0 0 0 0
              d_030, C2_030, d_060, C2_060 :  0 0 0 1
              d_120, C2_120, d_150, C2_150 :  0 1 0 0

 Point group used : 3        (C3   )

 iopsymr =
                                         E :  1
        C3_111, -C3_111, C3_1-11, -C3_1-11 :  0 0 0 0
      C3_-111, -C3_-111, C3_11-1, -C3_11-1 :  0 0 0 0
                   C2_110, C2_-110, C2_101 :  0 0 0
                  C2_-101, C2_011, C2_0-11 :  0 0 0
                             C4x, C4y, C4z :  0 0 0
                          -C4x, -C4y, -C4z :  0 0 0
                             C2x, C2y, C2z :  0 0 0
                                         i :  0
                             S4x, S4y, S4z :  0 0 0
                          -S4x, -S4y, -S4z :  0 0 0
    iC3_111, -iC3_111, iC3_1-11, -iC3_1-11 :  0 0 0 0
  iC3_-111, -iC3_-111, iC3_11-1, -iC3_11-1 :  0 0 0 0
                                mx, my, mz :  0 0 0
                       d_011, d_101, d_110 :  0 0 0
                    d_01-1, d_10-1, d_1-10 :  0 0 0
                      C3z, -C3z, C6z, -C6z :  1 1 0 0
                      S3z, -S3z, S6z, -S6z :  0 0 0 0
              d_030, C2_030, d_060, C2_060 :  0 0 0 0
              d_120, C2_120, d_150, C2_150 :  0 0 0 0

 Character table :
       1 49 50
       1  1  1                                                                                                                                       
       1  j j2                                                                                                                                       

 Symmetry code      Character code
    1        E     j = exp(2.i.pi/3)
   49      C3z
   50     -C3z

 Transformation matrices :
    R1 : internal orthonormal bases with z along c, x along b x c
         but for trigonal symmetry where z is along the hexagonal axis,
         used for the tensorial expansion.
    R2 : internal orthonormal bases used for the electronic structure calculation

 Transformation Crystal Bases - Bases R1 :
    17.12281 -8.56140  0.00000
     0.00000 14.82879  0.00000
     0.00000  0.00000 19.59079

 Transformation Crystal Normalized Bases - Bases R1 :
     1.00000 -0.50000  0.00000
     0.00000  0.86603  0.00000
     0.00000  0.00000  1.00000

 Rotation Bases R1 - Bases R2 :
     1.00000  0.00000  0.00000
     0.00000  1.00000  0.00000
     0.00000  0.00000  1.00000

 Inverse matrix :
     1.00000  0.00000  0.00000
     0.00000  1.00000  0.00000
     0.00000  0.00000  1.00000

 Transformation Crystal Bases - Bases R2 :
    17.12281 -8.56140  0.00000
     0.00000 14.82879  0.00000
     0.00000  0.00000 19.59079

 Inverse matrix :
     0.05840  0.03372  0.00000
     0.00000  0.06744  0.00000
     0.00000  0.00000  0.05104

 Atom positions in order, in the internal R2 bases
   Z      posx       posy       posz          dista    ia   igr ity ipr  chargat
  27   0.000000   0.000000   0.000000   !    0.000000   1     1   1   1  0.00000
   8  -0.908365  -1.199815   1.411985   !    2.063586   2    35   3   4  0.00000
   8  -0.908365   1.199815  -1.411985   !    2.063586   3    32   3   4  0.00000
   8   1.493253  -0.186760   1.411985   !    2.063586   4    34   3   4  0.00000
   8  -0.584888  -1.386575  -1.411985   !    2.063586   5    33   3   4  0.00000
   8   1.493253   0.186760  -1.411985   !    2.063586   6    31   3   4  0.00000
   8  -0.584888   1.386575   1.411985   !    2.063586   7    36   3   4  0.00000
  27   0.000000   0.000000  -2.591750   !    2.591750   8     7   1   2  0.00000
  27   0.000000   0.000000   2.591750   !    2.591750   9     8   1   2  0.00000
  20  -1.671754   2.895564   0.000000   !    3.343509  10    14   2   3  0.00000
  20  -1.671755  -2.895564   0.000000   !    3.343509  11    15   2   3  0.00000
  20   3.343509   0.000000   0.000000   !    3.343509  12    13   2   3  0.00000
  20   1.186991  -2.615685   1.727833   !    3.352039  13    28   2   3  0.00000
  20  -2.858746   0.279878   1.727833   !    3.352039  14    30   2   3  0.00000
  20   1.186991   2.615685  -1.727833   !    3.352039  15    22   2   3  0.00000
  20   1.671755   2.335807   1.727833   !    3.352039  16    29   2   3  0.00000
  20  -2.858746  -0.279878  -1.727833   !    3.352039  17    23   2   3  0.00000
  20   1.671755  -2.335807  -1.727833   !    3.352039  18    24   2   3  0.00000
   8   0.584888  -3.844796  -0.315848   !    3.901834  19    51   3   4  0.00000
   8  -3.622135  -1.415871   0.315848   !    3.901834  20    65   3   4  0.00000
   8   3.037247  -2.428925   0.315848   !    3.901834  21    64   3   4  0.00000
   8  -3.622135   1.415871  -0.315848   !    3.901834  22    50   3   4  0.00000
   8   3.037247   2.428925  -0.315848   !    3.901834  23    49   3   4  0.00000
   8   0.584888   3.844796   0.315848   !    3.901834  24    66   3   4  0.00000
   8   0.584888  -1.386575   3.771515   !    4.060666  25    42   3   4  0.00000
   8  -1.493253   0.186760   3.771515   !    4.060666  26    40   3   4  0.00000
   8  -1.493253  -0.186760  -3.771515   !    4.060666  27    37   3   4  0.00000
   8   0.908365   1.199815   3.771515   !    4.060666  28    41   3   4  0.00000
   8   0.584888   1.386575  -3.771515   !    4.060666  29    39   3   4  0.00000
   8   0.908365  -1.199815  -3.771515   !    4.060666  30    38   3   4  0.00000
  20  -1.671755  -2.335807   3.455667   !    4.493594  31    20   2   3  0.00000
  20  -1.186991  -2.615685  -3.455667   !    4.493594  32    25   2   3  0.00000
  20   2.858745   0.279878  -3.455667   !    4.493594  33    26   2   3  0.00000
  20   2.858746  -0.279878   3.455667   !    4.493594  34    21   2   3  0.00000
  20  -1.186991   2.615685   3.455667   !    4.493594  35    19   2   3  0.00000
  20  -1.671754   2.335807  -3.455667   !    4.493594  36    27   2   3  0.00000
   8  -3.037247   2.802445   2.043681   !    4.610337  37    43   3   4  0.00000
   8  -3.037247  -2.802445  -2.043681   !    4.610337  38    58   3   4  0.00000
   8   3.945612   1.229111   2.043681   !    4.610337  39    45   3   4  0.00000
   8  -0.908365  -4.031556   2.043681   !    4.610337  40    44   3   4  0.00000
   8  -0.908365   4.031556  -2.043681   !    4.610337  41    59   3   4  0.00000
   8   3.945612  -1.229111  -2.043681   !    4.610337  42    60   3   4  0.00000
  27   0.000000   0.000000  -5.183500   !    5.183500  43     2   1   1  0.00000
  27   0.000000   0.000000   5.183500   !    5.183500  44     2   1   1  0.00000
   8  -3.945612   1.229111  -3.139819   !    5.190090  45    54   3   4  0.00000
   8   0.908365  -4.031556  -3.139819   !    5.190090  46    53   3   4  0.00000
   8   3.037247  -2.802445   3.139819   !    5.190090  47    61   3   4  0.00000
   8   3.037247   2.802445  -3.139819   !    5.190090  48    52   3   4  0.00000
   8   0.908365   4.031556   3.139819   !    5.190090  49    62   3   4  0.00000
   8  -3.945612  -1.229111   3.139819   !    5.190090  50    63   3   4  0.00000
  27   4.530500  -2.615685  -0.863917   !    5.302225  51    12   1   2  0.00000
  27   0.000000  -5.231371   0.863917   !    5.302225  52     9   1   2  0.00000
  27  -4.530500  -2.615685  -0.863917   !    5.302225  53    12   1   2  0.00000
  27   4.530500   2.615685   0.863917   !    5.302225  54     9   1   2  0.00000
  27   0.000000   5.231371  -0.863917   !    5.302225  55    12   1   2  0.00000
  27  -4.530500   2.615685   0.863917   !    5.302225  56     9   1   2  0.00000
  27   0.000000   5.231371   1.727833   !    5.509324  57     6   1   1  0.00000
  27  -4.530500   2.615685  -1.727833   !    5.509324  58     4   1   1  0.00000
  27   0.000000  -5.231371  -1.727833   !    5.509324  59     4   1   1  0.00000
  27   4.530500  -2.615685   1.727833   !    5.509324  60     6   1   1  0.00000
  27  -4.530500  -2.615685   1.727833   !    5.509324  61     6   1   1  0.00000
  27   4.530500   2.615685  -1.727833   !    5.509324  62     4   1   1  0.00000
   8  -1.493253  -5.418131  -0.315848   !    5.629006  63    49   3   4  0.00000
   8   5.438865   1.415871  -0.315848   !    5.629006  64    50   3   4  0.00000
   8  -3.945612   4.002260  -0.315848   !    5.629006  65    51   3   4  0.00000
   8   5.438865  -1.415871   0.315848   !    5.629006  66    65   3   4  0.00000
   8  -1.493253   5.418131   0.315848   !    5.629006  67    64   3   4  0.00000
   8  -3.945612  -4.002260   0.315848   !    5.629006  68    66   3   4  0.00000
   8   1.493253  -5.044611   2.043681   !    5.643982  69    43   3   4  0.00000
   8   1.493253   5.044611  -2.043681   !    5.643982  70    58   3   4  0.00000
   8   3.622135  -3.815500  -2.043681   !    5.643982  71    59   3   4  0.00000
   8   3.622135   3.815500   2.043681   !    5.643982  72    44   3   4  0.00000
   8  -5.115388   1.229111   2.043681   !    5.643982  73    45   3   4  0.00000
   8  -5.115388  -1.229111  -2.043681   !    5.643982  74    60   3   4  0.00000
  20  -5.717491   0.000000   0.000000   !    5.717491  75    13   2   3  0.00000
  20   2.858745  -4.951492   0.000000   !    5.717491  76    14   2   3  0.00000
  20   2.858746   4.951492   0.000000   !    5.717491  77    15   2   3  0.00000

 ipr   iapot
   0     1
   1     1
   2     8
   3    10
   4     2

 ia ib Za Zb   Angle(a,O,b)
  2  3  8  8      127.768
  2  4  8  8       78.330
  2  5  8  8       87.292
  2  6  8  8      147.070
  2  7  8  8       78.330
  3  4  8  8      147.070
  3  5  8  8       78.330
  3  6  8  8       78.330
  3  7  8  8       87.292
  4  5  8  8      127.768
  4  6  8  8       87.292
  4  7  8  8       78.330
  5  6  8  8       78.330
  5  7  8  8      147.070
  6  7  8  8      127.768

 Cluster charge =    0.00000  Vsphere =    0.00000 eV


 ---- Tensor_shape ------------------------------------------------------------------------------------------------------------

  Absorbing atom basis :

  Dipole-dipole matrix shape :

     1  0  0
     0  1  0
     0  0  2

  Dipole-quadrupole matrix shape :

     (1,j,k)     (2,j,k)     (3,j,k)
     1  0  0     0  5  6     0  7  8
     0  2  3     5  0  0     7  0  0
     0  3  4     6  0  0     8  0  0

  Quadrupole-quadrupole matrix shape :


    (1,1,k,l)   (1,2,k,l)   (1,3,k,l)
     1  0  0     0  5  6     0  6  7
     0  2  3     5  0  0     6  0  0
     0  3  4     6  0  0     7  0  0

    (2,1,k,l)   (2,2,k,l)   (2,3,k,l)
     0  5  6     2  0  0     3  0  0
     5  0  0     0  8  9     0  9 11
     6  0  0     0  9 10     0 11 12

    (3,1,k,l)   (3,2,k,l)   (3,3,k,l)
     0  6  7     3  0  0     4  0  0
     6  0  0     0  9 11     0 10 12
     7  0  0     0 11 12     0 12 13

 ldip = ( 1 1 1)

 lqua = ( 1 1 1)
        ( 0 1 1)
        ( 0 0 1)

 ---- Atom_selec ------------------------------------------------------------------------------------------------------

  Rsort =    4.535 A
  nx = 24
  natome =   8, igrpt =  16, Cluster_comp = T, Cluster_mag = F

 ia   Z  it  igr ipr iap     posx      posy      posz   igrpt PtGrName  Atom_comp  Atom_mag
  1  27   1    1   1   1   0.00000   0.00000   0.00000   16      3         T         F
  2   8   3   31   4   6   1.49325   0.18676  -1.41199    1      1         T         F
  3   8   3   36   4   7  -0.58489   1.38657   1.41199    1      1         T         F
  4  27   1    7   2   8   0.00000   0.00000  -2.59175   16      3         T         F
  5  27   1    8   2   9   0.00000   0.00000   2.59175   16      3         T         F
  6  20   2   13   3  12   3.34351   0.00000   0.00000    1      1         T         F
  7  20   2   22   3  15   1.18699   2.61569  -1.72783    1      1         T         F
  8  20   2   29   3  16   1.67175   2.33581   1.72783    1      1         T         F

 Atom rotation matrices :

  Atom :      1                       2                       3                       4
     1.000  0.000  0.000     1.000  0.000  0.000     1.000  0.000  0.000     1.000  0.000  0.000
     0.000  1.000  0.000     0.000  1.000  0.000     0.000  1.000  0.000     0.000  1.000  0.000
     0.000  0.000  1.000     0.000  0.000  1.000     0.000  0.000  1.000     0.000  0.000  1.000

  Atom :      5                       6                       7                       8
     1.000  0.000  0.000     1.000  0.000  0.000     1.000  0.000  0.000     1.000  0.000  0.000
     0.000  1.000  0.000     0.000  1.000  0.000     0.000  1.000  0.000     0.000  1.000  0.000
     0.000  0.000  1.000     0.000  0.000  1.000     0.000  0.000  1.000     0.000  0.000  1.000

 Atom  ia_eq  is_eq
   1      1  1
   2      6  1   3 49   5 50
   3      7  1   2 49   4 50
   4      8  1
   5      9  1
   6     12  1  10 49  11 50
   7     15  1  17 49  18 50
   8     16  1  13 50  14 49

 Representation not found for (l,m) = ( 1,-1)

 Representation not found for (l,m) = ( 2,-1)

 Representation not found for (l,m) = ( 2, 2)

 Representation not found for (l,m) = ( 3,-1)

 Representation not found for (l,m) = ( 3, 2)

 Useful representation number  1 :

   Number of the corresponding representation : 1

   Orbital belonging to the representation :
    0  0    1  0    2  0    3 -3    3  0    3  3

     is  Symmetry    Character
      1        E   1.000  0.000
     49      C3z   1.000  0.000
     50     -C3z   1.000  0.000

 Useful representation number  2 :

   Number of the corresponding representation : 2

   Orbital belonging to the representation :
    1  1    2 -2    2  1    3 -2    3  1

     is  Symmetry    Character
      1        E   1.000  0.000
     49      C3z  -0.500  0.866
     50     -C3z  -0.500 -0.866

 ---- Reseau -----------------------------------------------------------------------------------------------------------

 npr =   766, npoint =   949, npso =   949
 natome =   8

 ---- Raymuf -----------------------------------------------------------------------------------------------------------

 Vrop =    -20.125 eV

 Rmtg : muffin-tin radius
 Rmtsd : Radius for the density of state calculation

 ipr    Rn     Rnorm     Dab     Rdem     Rayop     Rv0     Rmtsd     Rmtg    nrmtg
  1  1.14224  1.34844  2.06359  1.03179  1.24001  1.48637  1.24001  1.24001    485
  2  1.02715  1.26230  1.91220  0.95610  1.28170  1.40605  1.28170  1.28170    487
  3  1.40353  1.63897  2.33496  1.16748  1.20889  1.57128  1.20889  1.20889    483
  4  0.88506  1.08767  1.91220  0.95610  1.03046  1.28170  1.03046  1.03046    475

 ---- Potrmt -----------------------------------------------------------------------------------------------------------

   Z   charge   ch_ion    Vmft   Ionic radius
  27   27.552    2.720  -20.125    0.740
  27   28.499    2.675  -23.422    0.740
  20   19.060    1.835  -20.125    1.000
   8    8.128   -1.817  -20.125    1.400

 ---- En_dep ------------------------------------------------------------------------------------------------------------

  ia     Z    n  l    E_core   n  l     E_val   zero at infinity
  1     27    3  1    -66.534  4  0    -15.142
  2     27    3  1    -67.181  4  0    -17.685
  3     20    3  1    -29.103  4  0    -12.808
  4      8    1  0   -514.283  2  0    -29.313

 Starting energy =  -35.413 eV,    zero at  -3.90 eV

 ---- Chg_agr ------------------------------------------------------------------------------------------------------------

 Number of valence electrons =  420.040
 Number of core electrons    =  503.210
 Total                       =  923.250
 Charge from outer sphere    =    9.641
 Sum of atomic number        =  972
 Initial charge              =    0.000
 Cluster charge              =   48.750

 ia   Z     ch_val    ch_core   ch_total     ch_out   Atom charge
  1  27      8.179     17.991     26.170      0.013      0.830
  2  27      9.076     17.994     27.070      0.791     -0.070
  3  20      6.143     11.961     18.104      0.143      1.896
  4   8      5.720      2.000      7.720      0.062      0.280

chg_level for neutral absorber= 6.679

chg_level for excited absorber= 7.718

 ---- Potcomp ----------------------------------------------------------------------------------------------------------

     VmoyF =   -16.641 eV,      Vmoyc =    -7.003 eV

 ---- Write_state ------------------------------------------------------------------------------------------------------------

 Sum of atomic numbers =  972, Reference charge =   923.250

 Cycle  1,   Fermi energy =  -7.026 eV,  Cluster Energy_KS =  -7005.432 eV
         Popul val absorb =   3.652

  At the Fermi level :

             ia   Z   Energy_KS      Charge  pop_orb_val(l)   l    Radius
              1  27     -43.786       4.750       3.607       2   1.24001
              2  27     -81.041      -0.230       7.483       2   1.28170
              3  20    -148.319       1.900       0.058       0   1.20889
              4   8     -99.631      -0.349       4.411       1   1.03046

 ---- En_DFT ----------------------------------------------------------------------------------------------------------

 Cluster energy:  -710622.786 eV

  ia    Energ_atom      Energ_KS   delta_En_coeur   Fonc_exc     Fonc_coul      Vxc_int
   1    -28629.376       -43.786         0.000     -1441.156     29052.545     -1908.110
   2    -31928.601       -81.041         0.000     -1551.670     32349.183     -2053.292
   3    -15111.123      -148.319         0.000      -922.905     15260.388     -1220.490
   4     -2090.964       -99.631         0.000      -225.211      2062.608      -296.486

 Sum   -710622.786     -7005.432         0.000    -42676.845    717351.252    -56410.743

 E_cut =   -7.02553 eV

 ---- Agregat ----------------------------------------------------------------------------------------------------------

 Index of the absorbing atom, iaabs =  1

 Point group : 32       (D3   )

 iopsymc =
                                         E :  1
        C3_111, -C3_111, C3_1-11, -C3_1-11 :  0 0 0 0
      C3_-111, -C3_-111, C3_11-1, -C3_11-1 :  0 0 0 0
                   C2_110, C2_-110, C2_101 :  0 0 0
                  C2_-101, C2_011, C2_0-11 :  0 0 0
                             C4x, C4y, C4z :  0 0 0
                          -C4x, -C4y, -C4z :  0 0 0
                             C2x, C2y, C2z :  1 0 0
                                         i :  0
                             S4x, S4y, S4z :  0 0 0
                          -S4x, -S4y, -S4z :  0 0 0
    iC3_111, -iC3_111, iC3_1-11, -iC3_1-11 :  0 0 0 0
  iC3_-111, -iC3_-111, iC3_11-1, -iC3_11-1 :  0 0 0 0
                                mx, my, mz :  0 0 0
                       d_011, d_101, d_110 :  0 0 0
                    d_01-1, d_10-1, d_1-10 :  0 0 0
                      C3z, -C3z, C6z, -C6z :  1 1 0 0
                      S3z, -S3z, S6z, -S6z :  0 0 0 0
              d_030, C2_030, d_060, C2_060 :  0 0 0 1
              d_120, C2_120, d_150, C2_150 :  0 1 0 0

 Point group used : 3        (C3   )

 iopsymr =
                                         E :  1
        C3_111, -C3_111, C3_1-11, -C3_1-11 :  0 0 0 0
      C3_-111, -C3_-111, C3_11-1, -C3_11-1 :  0 0 0 0
                   C2_110, C2_-110, C2_101 :  0 0 0
                  C2_-101, C2_011, C2_0-11 :  0 0 0
                             C4x, C4y, C4z :  0 0 0
                          -C4x, -C4y, -C4z :  0 0 0
                             C2x, C2y, C2z :  0 0 0
                                         i :  0
                             S4x, S4y, S4z :  0 0 0
                          -S4x, -S4y, -S4z :  0 0 0
    iC3_111, -iC3_111, iC3_1-11, -iC3_1-11 :  0 0 0 0
  iC3_-111, -iC3_-111, iC3_11-1, -iC3_11-1 :  0 0 0 0
                                mx, my, mz :  0 0 0
                       d_011, d_101, d_110 :  0 0 0
                    d_01-1, d_10-1, d_1-10 :  0 0 0
                      C3z, -C3z, C6z, -C6z :  1 1 0 0
                      S3z, -S3z, S6z, -S6z :  0 0 0 0
              d_030, C2_030, d_060, C2_060 :  0 0 0 0
              d_120, C2_120, d_150, C2_150 :  0 0 0 0

 Character table :
       1 49 50
       1  1  1                                                                                                                                       
       1  j j2                                                                                                                                       

 Symmetry code      Character code
    1        E     j = exp(2.i.pi/3)
   49      C3z
   50     -C3z

 Transformation matrices :
    R1 : internal orthonormal bases with z along c, x along b x c
         but for trigonal symmetry where z is along the hexagonal axis,
         used for the tensorial expansion.
    R2 : internal orthonormal bases used for the electronic structure calculation

 Transformation Crystal Bases - Bases R1 :
    17.12281 -8.56140  0.00000
     0.00000 14.82879  0.00000
     0.00000  0.00000 19.59079

 Transformation Crystal Normalized Bases - Bases R1 :
     1.00000 -0.50000  0.00000
     0.00000  0.86603  0.00000
     0.00000  0.00000  1.00000

 Rotation Bases R1 - Bases R2 :
     1.00000  0.00000  0.00000
     0.00000  1.00000  0.00000
     0.00000  0.00000  1.00000

 Inverse matrix :
     1.00000  0.00000  0.00000
     0.00000  1.00000  0.00000
     0.00000  0.00000  1.00000

 Transformation Crystal Bases - Bases R2 :
    17.12281 -8.56140  0.00000
     0.00000 14.82879  0.00000
     0.00000  0.00000 19.59079

 Inverse matrix :
     0.05840  0.03372  0.00000
     0.00000  0.06744  0.00000
     0.00000  0.00000  0.05104

 Atom positions in order, in the internal R2 bases
   Z      posx       posy       posz          dista    ia   igr ity ipr  chargat
  27   0.000000   0.000000   0.000000   !    0.000000   1     1   0   0  0.00000
   8  -0.908365  -1.199815   1.411985   !    2.063586   2    35   3   4  0.00000
   8  -0.908365   1.199815  -1.411985   !    2.063586   3    32   3   4  0.00000
   8   1.493253  -0.186760   1.411985   !    2.063586   4    34   3   4  0.00000
   8  -0.584888  -1.386575  -1.411985   !    2.063586   5    33   3   4  0.00000
   8   1.493253   0.186760  -1.411985   !    2.063586   6    31   3   4  0.00000
   8  -0.584888   1.386575   1.411985   !    2.063586   7    36   3   4  0.00000
  27   0.000000   0.000000  -2.591750   !    2.591750   8     7   1   2  0.00000
  27   0.000000   0.000000   2.591750   !    2.591750   9     8   1   2  0.00000
  20  -1.671754   2.895564   0.000000   !    3.343509  10    14   2   3  0.00000
  20  -1.671755  -2.895564   0.000000   !    3.343509  11    15   2   3  0.00000
  20   3.343509   0.000000   0.000000   !    3.343509  12    13   2   3  0.00000
  20   1.186991  -2.615685   1.727833   !    3.352039  13    28   2   3  0.00000
  20  -2.858746   0.279878   1.727833   !    3.352039  14    30   2   3  0.00000
  20   1.186991   2.615685  -1.727833   !    3.352039  15    22   2   3  0.00000
  20   1.671755   2.335807   1.727833   !    3.352039  16    29   2   3  0.00000
  20  -2.858746  -0.279878  -1.727833   !    3.352039  17    23   2   3  0.00000
  20   1.671755  -2.335807  -1.727833   !    3.352039  18    24   2   3  0.00000
   8   0.584888  -3.844796  -0.315848   !    3.901834  19    51   3   4  0.00000
   8  -3.622135  -1.415871   0.315848   !    3.901834  20    65   3   4  0.00000
   8   3.037247  -2.428925   0.315848   !    3.901834  21    64   3   4  0.00000
   8  -3.622135   1.415871  -0.315848   !    3.901834  22    50   3   4  0.00000
   8   3.037247   2.428925  -0.315848   !    3.901834  23    49   3   4  0.00000
   8   0.584888   3.844796   0.315848   !    3.901834  24    66   3   4  0.00000
   8   0.584888  -1.386575   3.771515   !    4.060666  25    42   3   4  0.00000
   8  -1.493253   0.186760   3.771515   !    4.060666  26    40   3   4  0.00000
   8  -1.493253  -0.186760  -3.771515   !    4.060666  27    37   3   4  0.00000
   8   0.908365   1.199815   3.771515   !    4.060666  28    41   3   4  0.00000
   8   0.584888   1.386575  -3.771515   !    4.060666  29    39   3   4  0.00000
   8   0.908365  -1.199815  -3.771515   !    4.060666  30    38   3   4  0.00000
  20  -1.671755  -2.335807   3.455667   !    4.493594  31    20   2   3  0.00000
  20  -1.186991  -2.615685  -3.455667   !    4.493594  32    25   2   3  0.00000
  20   2.858745   0.279878  -3.455667   !    4.493594  33    26   2   3  0.00000
  20   2.858746  -0.279878   3.455667   !    4.493594  34    21   2   3  0.00000
  20  -1.186991   2.615685   3.455667   !    4.493594  35    19   2   3  0.00000
  20  -1.671754   2.335807  -3.455667   !    4.493594  36    27   2   3  0.00000
   8  -3.037247   2.802445   2.043681   !    4.610337  37    43   3   4  0.00000
   8  -3.037247  -2.802445  -2.043681   !    4.610337  38    58   3   4  0.00000
   8   3.945612   1.229111   2.043681   !    4.610337  39    45   3   4  0.00000
   8  -0.908365  -4.031556   2.043681   !    4.610337  40    44   3   4  0.00000
   8  -0.908365   4.031556  -2.043681   !    4.610337  41    59   3   4  0.00000
   8   3.945612  -1.229111  -2.043681   !    4.610337  42    60   3   4  0.00000
  27   0.000000   0.000000  -5.183500   !    5.183500  43     2   1   1  0.00000
  27   0.000000   0.000000   5.183500   !    5.183500  44     2   1   1  0.00000
   8  -3.945612   1.229111  -3.139819   !    5.190090  45    54   3   4  0.00000
   8   0.908365  -4.031556  -3.139819   !    5.190090  46    53   3   4  0.00000
   8   3.037247  -2.802445   3.139819   !    5.190090  47    61   3   4  0.00000
   8   3.037247   2.802445  -3.139819   !    5.190090  48    52   3   4  0.00000
   8   0.908365   4.031556   3.139819   !    5.190090  49    62   3   4  0.00000
   8  -3.945612  -1.229111   3.139819   !    5.190090  50    63   3   4  0.00000
  27   4.530500  -2.615685  -0.863917   !    5.302225  51    12   1   2  0.00000
  27   0.000000  -5.231371   0.863917   !    5.302225  52     9   1   2  0.00000
  27  -4.530500  -2.615685  -0.863917   !    5.302225  53    12   1   2  0.00000
  27   4.530500   2.615685   0.863917   !    5.302225  54     9   1   2  0.00000
  27   0.000000   5.231371  -0.863917   !    5.302225  55    12   1   2  0.00000
  27  -4.530500   2.615685   0.863917   !    5.302225  56     9   1   2  0.00000
  27   0.000000   5.231371   1.727833   !    5.509324  57     6   1   1  0.00000
  27  -4.530500   2.615685  -1.727833   !    5.509324  58     4   1   1  0.00000
  27   0.000000  -5.231371  -1.727833   !    5.509324  59     4   1   1  0.00000
  27   4.530500  -2.615685   1.727833   !    5.509324  60     6   1   1  0.00000
  27  -4.530500  -2.615685   1.727833   !    5.509324  61     6   1   1  0.00000
  27   4.530500   2.615685  -1.727833   !    5.509324  62     4   1   1  0.00000
   8  -1.493253  -5.418131  -0.315848   !    5.629006  63    49   3   4  0.00000
   8   5.438865   1.415871  -0.315848   !    5.629006  64    50   3   4  0.00000
   8  -3.945612   4.002260  -0.315848   !    5.629006  65    51   3   4  0.00000
   8   5.438865  -1.415871   0.315848   !    5.629006  66    65   3   4  0.00000
   8  -1.493253   5.418131   0.315848   !    5.629006  67    64   3   4  0.00000
   8  -3.945612  -4.002260   0.315848   !    5.629006  68    66   3   4  0.00000
   8   1.493253  -5.044611   2.043681   !    5.643982  69    43   3   4  0.00000
   8   1.493253   5.044611  -2.043681   !    5.643982  70    58   3   4  0.00000
   8   3.622135  -3.815500  -2.043681   !    5.643982  71    59   3   4  0.00000
   8   3.622135   3.815500   2.043681   !    5.643982  72    44   3   4  0.00000
   8  -5.115388   1.229111   2.043681   !    5.643982  73    45   3   4  0.00000
   8  -5.115388  -1.229111  -2.043681   !    5.643982  74    60   3   4  0.00000
  20  -5.717491   0.000000   0.000000   !    5.717491  75    13   2   3  0.00000
  20   2.858745  -4.951492   0.000000   !    5.717491  76    14   2   3  0.00000
  20   2.858746   4.951492   0.000000   !    5.717491  77    15   2   3  0.00000

 ipr   iapot
   0     1
   1     1
   2     8
   3    10
   4     2

 ia ib Za Zb   Angle(a,O,b)
  2  3  8  8      127.768
  2  4  8  8       78.330
  2  5  8  8       87.292
  2  6  8  8      147.070
  2  7  8  8       78.330
  3  4  8  8      147.070
  3  5  8  8       78.330
  3  6  8  8       78.330
  3  7  8  8       87.292
  4  5  8  8      127.768
  4  6  8  8       87.292
  4  7  8  8       78.330
  5  6  8  8       78.330
  5  7  8  8      147.070
  6  7  8  8      127.768

 Cluster charge =    0.00000  Vsphere =    0.00000 eV


 ---- Tensor_shape ------------------------------------------------------------------------------------------------------------

  Absorbing atom basis :

  Dipole-dipole matrix shape :

     1  0  0
     0  1  0
     0  0  2

  Dipole-quadrupole matrix shape :

     (1,j,k)     (2,j,k)     (3,j,k)
     1  0  0     0  5  6     0  7  8
     0  2  3     5  0  0     7  0  0
     0  3  4     6  0  0     8  0  0

  Quadrupole-quadrupole matrix shape :


    (1,1,k,l)   (1,2,k,l)   (1,3,k,l)
     1  0  0     0  5  6     0  6  7
     0  2  3     5  0  0     6  0  0
     0  3  4     6  0  0     7  0  0

    (2,1,k,l)   (2,2,k,l)   (2,3,k,l)
     0  5  6     2  0  0     3  0  0
     5  0  0     0  8  9     0  9 11
     6  0  0     0  9 10     0 11 12

    (3,1,k,l)   (3,2,k,l)   (3,3,k,l)
     0  6  7     3  0  0     4  0  0
     6  0  0     0  9 11     0 10 12
     7  0  0     0 11 12     0 12 13

 ldip = ( 1 1 1)

 lqua = ( 1 1 1)
        ( 0 1 1)
        ( 0 0 1)

 Absorption before the edge :
 Site  Z      fpp (per atom)
   1  27  4.74579E-01
   2  27  4.74579E-01
   3  20  1.38993E+00
   4   8  3.54057E-02

 Total :  3.38626E+02 nbr. of electron

 ---- Prepdafs ---------------------------------------------------------------------------------------------------------

  (h,k,l) ThetaBragg  d_hkl (A)    Polarization angles        poldafse     vecdafse       poldafss     vecdafss

  1  3  1    22.182     2.130     0.000  90.000   0.000   0.00713 0.00000   0.02811   0.02387 0.00000   0.06267
                                                          0.01425 0.00000  -0.03853   0.06517 0.00000   0.00984
                                                         -0.04989 0.00000  -0.00631   0.01067 0.00000   0.00161

  1  3  1    22.182     2.130    90.000   0.000   0.000   0.06088 0.00000   0.02811   0.00713 0.00000   0.06267
                                                          0.05347 0.00000  -0.03853   0.01425 0.00000   0.00984
                                                          0.00875 0.00000  -0.00631  -0.04989 0.00000   0.00161


  (h,k,l)  exp(i*Q.R_ia) (ia = 1,natomsym)
  1  3  1   6.12303E-17  1.00000E+00  -1.83691E-16 -1.00000E+00   5.51073E-16  1.00000E+00  -2.20497E-15 -1.00000E+00  -9.80363E-16  1.00000E+00  -2.44989E-15 -1.00000E+00
  1  3  1   6.12303E-17  1.00000E+00  -1.83691E-16 -1.00000E+00   5.51073E-16  1.00000E+00  -2.20497E-15 -1.00000E+00  -9.80363E-16  1.00000E+00  -2.44989E-15 -1.00000E+00

 Value of the structure factors per atom site :

 Site =  1, Z = 27

  (h,k,l)      f0              fp          fpp          Ph = Sum(exp(iQR))          Ph*f0*(eps_e.eps_s)     Ph*(fp+i*fpp)*(eps_e.eps_s)
  1  3  1  1.98899E+01    0.00000E+00  0.00000E+00   -5.20661E-15  0.00000E+00   -8.62302E-30  0.00000E+00    0.00000E+00  0.00000E+00
  1  3  1  1.98899E+01    0.00000E+00  0.00000E+00   -5.20661E-15  0.00000E+00   -8.62302E-30  0.00000E+00    0.00000E+00  0.00000E+00

 Site =  2, Z = 27

  (h,k,l)      f0              fp          fpp          Ph = Sum(exp(iQR))          Ph*f0*(eps_e.eps_s)     Ph*(fp+i*fpp)*(eps_e.eps_s)
  1  3  1  1.98899E+01    0.00000E+00  0.00000E+00    0.00000E+00 -1.65390E-15    0.00000E+00 -2.73913E-30    0.00000E+00  0.00000E+00
  1  3  1  1.98899E+01    0.00000E+00  0.00000E+00    0.00000E+00 -1.65390E-15    0.00000E+00 -2.73913E-30    0.00000E+00  0.00000E+00

 Site =  3, Z = 20

  (h,k,l)      f0              fp          fpp          Ph = Sum(exp(iQR))          Ph*f0*(eps_e.eps_s)     Ph*(fp+i*fpp)*(eps_e.eps_s)
  1  3  1  1.33649E+01    3.21990E-01  1.38566E+00   -7.23491E+00  9.21485E-15   -8.05138E-15  1.02548E-29   -1.93975E-16 -8.34761E-16
  1  3  1  1.33649E+01    3.21990E-01  1.38566E+00   -7.23491E+00  9.21485E-15   -8.05138E-15  1.02548E-29   -1.93975E-16 -8.34761E-16

 Site =  4, Z =  8

  (h,k,l)      f0              fp          fpp          Ph = Sum(exp(iQR))          Ph*f0*(eps_e.eps_s)     Ph*(fp+i*fpp)*(eps_e.eps_s)
  1  3  1  5.04809E+00    4.91722E-02  3.52752E-02   -1.53091E+01  2.49245E-14   -6.43501E-15  1.04767E-29   -6.26818E-17 -4.49668E-17
  1  3  1  5.04809E+00    4.91722E-02  3.52752E-02   -1.53091E+01  2.49245E-14   -6.43501E-15  1.04767E-29   -6.26818E-17 -4.49668E-17

  (h,k,l)   Total Structure factor
  1  3  1 -1.47431E-14   -8.79728E-16
  1  3  1 -1.47431E-14   -8.79728E-16

 ---- Polond ---------------------------------------------------------------------------------------------------------

  Polarization and wave vectors in the internal basis R1 ( orthogonal basis, z along c crystal )

         ple            voe           pls            vos        type      weight_d weight_q

  1.00000  0.00000   0.00000   1.00000  0.00000   0.00000   xanes rectil  0.33333  0.20000
  0.00000  0.00000   1.00000   0.00000  0.00000   1.00000
  0.00000  0.00000   0.00000   0.00000  0.00000   0.00000

  0.70711  0.00000   0.70711   0.70711  0.00000   0.70711   xanes rectil  0.00000  0.13333
  0.70711  0.00000  -0.70711   0.70711  0.00000  -0.70711
  0.00000  0.00000   0.00000   0.00000  0.00000   0.00000

  0.00000  0.00000   0.00000   0.00000  0.00000   0.00000   xanes rectil  0.33333  0.20000
  1.00000  0.00000   0.00000   1.00000  0.00000   0.00000
  0.00000  0.00000   1.00000   0.00000  0.00000   1.00000

  0.00000  0.00000   0.00000   0.00000  0.00000   0.00000   xanes rectil  0.00000  0.13333
  0.70711  0.00000   0.70711   0.70711  0.00000   0.70711
  0.70711  0.00000  -0.70711   0.70711  0.00000  -0.70711

  0.00000  0.00000   1.00000   0.00000  0.00000   1.00000   xanes rectil  0.33333  0.20000
  0.00000  0.00000   0.00000   0.00000  0.00000   0.00000
  1.00000  0.00000   0.00000   1.00000  0.00000   0.00000

  0.70711  0.00000  -0.70711   0.70711  0.00000  -0.70711   xanes rectil  0.00000  0.13333
  0.00000  0.00000   0.00000   0.00000  0.00000   0.00000
  0.70711  0.00000   0.70711   0.70711  0.00000   0.70711

  0.00000  0.00000   0.81130  -0.14929  0.00000   0.98879   dafs rectil 
  0.21138  0.00000  -0.57143   0.96645  0.00000   0.14592
 -0.97740  0.00000  -0.12358   0.20901  0.00000   0.03156

  0.58464  0.00000   0.81130   0.00000  0.00000   0.98879   dafs rectil 
  0.79296  0.00000  -0.57143   0.21138  0.00000   0.14592
  0.17149  0.00000  -0.12358  -0.97740  0.00000   0.03156

 ---- Atom_selec ------------------------------------------------------------------------------------------------------

  Rsort =    4.535 A
  nx = 24
  natome =   8, igrpt =  16, Cluster_comp = T, Cluster_mag = F

 ia   Z  it  igr ipr iap     posx      posy      posz   igrpt PtGrName  Atom_comp  Atom_mag
  1  27   0    1   0   1   0.00000   0.00000   0.00000   16      3         T         F
  2   8   3   31   4   6   1.49325   0.18676  -1.41199    1      1         T         F
  3   8   3   36   4   7  -0.58489   1.38657   1.41199    1      1         T         F
  4  27   1    7   2   8   0.00000   0.00000  -2.59175   16      3         T         F
  5  27   1    8   2   9   0.00000   0.00000   2.59175   16      3         T         F
  6  20   2   13   3  12   3.34351   0.00000   0.00000    1      1         T         F
  7  20   2   22   3  15   1.18699   2.61569  -1.72783    1      1         T         F
  8  20   2   29   3  16   1.67175   2.33581   1.72783    1      1         T         F

 Atom rotation matrices :

  Atom :      1                       2                       3                       4
     1.000  0.000  0.000     1.000  0.000  0.000     1.000  0.000  0.000     1.000  0.000  0.000
     0.000  1.000  0.000     0.000  1.000  0.000     0.000  1.000  0.000     0.000  1.000  0.000
     0.000  0.000  1.000     0.000  0.000  1.000     0.000  0.000  1.000     0.000  0.000  1.000

  Atom :      5                       6                       7                       8
     1.000  0.000  0.000     1.000  0.000  0.000     1.000  0.000  0.000     1.000  0.000  0.000
     0.000  1.000  0.000     0.000  1.000  0.000     0.000  1.000  0.000     0.000  1.000  0.000
     0.000  0.000  1.000     0.000  0.000  1.000     0.000  0.000  1.000     0.000  0.000  1.000

 Atom  ia_eq  is_eq
   1      1  1
   2      6  1   3 49   5 50
   3      7  1   2 49   4 50
   4      8  1
   5      9  1
   6     12  1  10 49  11 50
   7     15  1  17 49  18 50
   8     16  1  13 50  14 49

 ---- Etafin -----------------------------------------------------------------------------------------------------------

 Representation not found for (l,m) = ( 1,-1)

 Representation not found for (l,m) = ( 2, 2)

 Representation not found for (l,m) = ( 2,-1)

 Useful representation number  1 :

   Number of the corresponding representation : 2

   Orbital belonging to the representation :
    1  1    2 -2    2  1

     is  Symmetry    Character
      1        E   1.000  0.000
     49      C3z  -0.500  0.866
     50     -C3z  -0.500 -0.866

 Useful representation number  2 :

   Number of the corresponding representation : 1

   Orbital belonging to the representation :
    1  0    0  0    2  0

     is  Symmetry    Character
      1        E   1.000  0.000
     49      C3z   1.000  0.000
     50     -C3z   1.000  0.000

 ---- Reseau -----------------------------------------------------------------------------------------------------------

 npr =   766, npoint =   949, npso =   949
 natome =   8

 ---- Raymuf -----------------------------------------------------------------------------------------------------------

 Vrop =    -19.908 eV

 Rmtg : muffin-tin radius
 Rmtsd : Radius for the density of state calculation

 ipr    Rn     Rnorm     Dab     Rdem     Rayop     Rv0     Rmtsd     Rmtg    nrmtg
  0  1.13905  1.34003  2.06359  1.03179  1.22754  1.38025  1.22754  1.22754    484
  1  1.34844  1.34844  2.06359  1.03179  1.27985  1.48637  1.27985  1.27985    486
  2  1.02715  1.26230  1.91220  0.95610  1.28170  1.45910  1.28170  1.28170    487
  3  1.40353  1.63897  2.33496  1.16748  1.21789  1.57128  1.21789  1.21789    484
  4  0.88506  1.08767  1.91220  0.95610  1.04857  1.35492  1.04857  1.04857    476

 ---- Potrmt -----------------------------------------------------------------------------------------------------------

   Z   charge   ch_ion    Vmft   Ionic radius
  27*  27.413    2.574  -19.908    0.740
  27   27.673    2.720  -19.908    0.740
  27   28.354    2.675  -23.422    0.740
  20   18.993    1.835  -19.908    1.000
   8    8.166   -1.817  -19.908    1.400

 ---- Potcomp ----------------------------------------------------------------------------------------------------------

     VmoyF =   -16.558 eV,      Vmoyc =    -6.956 eV

     Epsii =  7498.539 eV,  psi*psi =  0.982

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -14.00000 eV

 Vmoy = -16.35369 eV, Vmftabs = -19.86640 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      5.992E-06 -5.611E-06   -6.625E-03  6.203E-03   -1.241E-03  1.162E-03
  1  0    1  1     -1.456E-03 -1.615E-03    3.727E-02  4.135E-02    4.224E-03  4.686E-03
  2  0    1  1     -1.227E-03  1.030E-03    5.132E-02 -4.309E-02    9.818E-03 -8.244E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.3339905425E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.3339905425E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4458537241E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.5653896487E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5653896487E-05 -1.0358266810E-06
  0.0000000000E+00 -1.0358266810E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.5653896487E-05  1.0358266810E-06
 -1.5653896487E-05  0.0000000000E+00  0.0000000000E+00
  1.0358266810E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.4758232885E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9987222610E-06 -3.7494132102E-07
  0.0000000000E+00 -3.7494132102E-07  1.1023950931E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.0379755312E-05 -3.7494132102E-07
  1.0379755312E-05  0.0000000000E+00  0.0000000000E+00
 -3.7494132102E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -3.7494132102E-07  1.3050305057E-05
 -3.7494132102E-07  0.0000000000E+00  0.0000000000E+00
  1.3050305057E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.0379755312E-05 -3.7494132102E-07
  1.0379755312E-05  0.0000000000E+00  0.0000000000E+00
 -3.7494132102E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.9987222610E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4758232885E-05  3.7494132102E-07
  0.0000000000E+00  3.7494132102E-07  1.1023950931E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -3.7494132102E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7494132102E-07  1.3050305057E-05
  0.0000000000E+00  1.3050305057E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -3.7494132102E-07  1.3050305057E-05
 -3.7494132102E-07  0.0000000000E+00  0.0000000000E+00
  1.3050305057E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -3.7494132102E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7494132102E-07  1.3050305057E-05
  0.0000000000E+00  1.3050305057E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.1023950931E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1023950931E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7932274301E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.8003943255E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8003943255E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.6751223447E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.4854939731E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3992333566E-05 -2.2496479261E-06
  0.0000000000E+00 -2.2496479261E-06  6.6143705585E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.2278531871E-05 -2.2496479261E-06
  6.2278531871E-05  0.0000000000E+00  0.0000000000E+00
 -2.2496479261E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.2496479261E-06  7.8301830340E-05
 -2.2496479261E-06  0.0000000000E+00  0.0000000000E+00
  7.8301830340E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.2278531871E-05 -2.2496479261E-06
  6.2278531871E-05  0.0000000000E+00  0.0000000000E+00
 -2.2496479261E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.3992333566E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4854939731E-04  2.2496479261E-06
  0.0000000000E+00  2.2496479261E-06  6.6143705585E-05

 Crystal Tensor_qq(ke,je,3,2)
 -2.2496479261E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2496479261E-06  7.8301830340E-05
  0.0000000000E+00  7.8301830340E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.2496479261E-06  7.8301830340E-05
 -2.2496479261E-06  0.0000000000E+00  0.0000000000E+00
  7.8301830340E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.2496479261E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2496479261E-06  7.8301830340E-05
  0.0000000000E+00  7.8301830340E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  6.6143705585E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6143705585E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6759364580E-04

 Convertion factor = 110.12356 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -14.000  3.86267E-03  3.86267E-03  3.87870E-03  6.35872E-03  8.75342E-03  6.35872E-03  5.50964E-03
   dip-dip  3.80039E-03  3.80039E-03  3.80039E-03  6.23776E-03  8.67512E-03  6.23776E-03  5.42530E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.22785E-05  6.22785E-05  7.83018E-05  1.20964E-04  7.83018E-05  1.20964E-04  8.43373E-05

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.14090E-04  8.50063E-20 -5.42534E-04 -4.04232E-19
   dip-dip  3.02917E-17  0.00000E+00  2.48541E-17  0.00000E+00
   dip-qua  1.14090E-04  8.50063E-20 -5.42534E-04 -4.04232E-19
   qua-qua -1.77725E-21  0.00000E+00 -1.38609E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -13.90000 eV

 Vmoy = -16.35454 eV, Vmftabs = -19.86888 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      6.206E-06 -5.796E-06   -6.861E-03  6.408E-03   -1.285E-03  1.201E-03
  1  0    1  1     -1.531E-03 -1.710E-03    3.918E-02  4.376E-02    4.441E-03  4.960E-03
  2  0    1  1     -1.348E-03  1.119E-03    5.642E-02 -4.684E-02    1.079E-02 -8.960E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.9354924360E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.9354924360E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7001172651E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.8005197339E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8005197339E-05 -1.2619931369E-06
  0.0000000000E+00 -1.2619931369E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.8005197339E-05  1.2619931369E-06
 -1.8005197339E-05  0.0000000000E+00  0.0000000000E+00
  1.2619931369E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.9119517463E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8052496779E-06 -4.1363001355E-07
  0.0000000000E+00 -4.1363001355E-07  1.7505596969E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.1157133892E-05 -4.1363001355E-07
  1.1157133892E-05  0.0000000000E+00  0.0000000000E+00
 -4.1363001355E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -4.1363001355E-07  1.4241793005E-05
 -4.1363001355E-07  0.0000000000E+00  0.0000000000E+00
  1.4241793005E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.1157133892E-05 -4.1363001355E-07
  1.1157133892E-05  0.0000000000E+00  0.0000000000E+00
 -4.1363001355E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  6.8052496779E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9119517463E-05  4.1363001355E-07
  0.0000000000E+00  4.1363001355E-07  1.7505596969E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.1363001355E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1363001355E-07  1.4241793005E-05
  0.0000000000E+00  1.4241793005E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -4.1363001355E-07  1.4241793005E-05
 -4.1363001355E-07  0.0000000000E+00  0.0000000000E+00
  1.4241793005E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.1363001355E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1363001355E-07  1.4241793005E-05
  0.0000000000E+00  1.4241793005E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.7505596969E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7505596969E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0709870466E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.1612954616E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1612954616E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0200703591E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.7471710478E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0831498068E-05 -2.4817800813E-06
  0.0000000000E+00 -2.4817800813E-06  1.0503358181E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.6942803355E-05 -2.4817800813E-06
  6.6942803355E-05  0.0000000000E+00  0.0000000000E+00
 -2.4817800813E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.4817800813E-06  8.5450758033E-05
 -2.4817800813E-06  0.0000000000E+00  0.0000000000E+00
  8.5450758033E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.6942803355E-05 -2.4817800813E-06
  6.6942803355E-05  0.0000000000E+00  0.0000000000E+00
 -2.4817800813E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  4.0831498068E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7471710478E-04  2.4817800813E-06
  0.0000000000E+00  2.4817800813E-06  1.0503358181E-04

 Crystal Tensor_qq(ke,je,3,2)
 -2.4817800813E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4817800813E-06  8.5450758033E-05
  0.0000000000E+00  8.5450758033E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.4817800813E-06  8.5450758033E-05
 -2.4817800813E-06  0.0000000000E+00  0.0000000000E+00
  8.5450758033E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.4817800813E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4817800813E-06  8.5450758033E-05
  0.0000000000E+00  8.5450758033E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.0503358181E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0503358181E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.4259222797E-04

 Convertion factor = 110.12500 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -13.900  4.22824E-03  4.22824E-03  4.24675E-03  7.33281E-03  1.02862E-02  7.33281E-03  6.27141E-03
   dip-dip  4.16130E-03  4.16130E-03  4.16130E-03  7.18100E-03  1.02007E-02  7.18100E-03  6.17443E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.69428E-05  6.69428E-05  8.54508E-05  1.51811E-04  8.54508E-05  1.51811E-04  9.69774E-05

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.42059E-04  1.05845E-19 -6.34440E-04 -4.72710E-19
   dip-dip  3.75296E-17  0.00000E+00  3.07927E-17  0.00000E+00
   dip-qua  1.42059E-04  1.05845E-19 -6.34440E-04 -4.72710E-19
   qua-qua -6.83434E-22  0.00000E+00 -1.59315E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -13.80000 eV

 Vmoy = -16.35544 eV, Vmftabs = -19.87130 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      6.438E-06 -5.994E-06   -7.118E-03  6.628E-03   -1.334E-03  1.242E-03
  1  0    1  1     -1.614E-03 -1.817E-03    4.132E-02  4.651E-02    4.683E-03  5.271E-03
  2  0    1  1     -1.492E-03  1.223E-03    6.244E-02 -5.116E-02    1.194E-02 -9.786E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.6603613203E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.6603613203E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0399455498E-03

 Tensor_dq(1,ks,j2), prototypical atom
  2.0890053266E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0890053266E-05 -1.5526570768E-06
  0.0000000000E+00 -1.5526570768E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -2.0890053266E-05  1.5526570768E-06
 -2.0890053266E-05  0.0000000000E+00  0.0000000000E+00
  1.5526570768E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  3.5673230272E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1536377899E-05 -4.5510460908E-07
  0.0000000000E+00 -4.5510460908E-07  2.9268381138E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.2068426187E-05 -4.5510460908E-07
  1.2068426187E-05  0.0000000000E+00  0.0000000000E+00
 -4.5510460908E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -4.5510460908E-07  1.5654672331E-05
 -4.5510460908E-07  0.0000000000E+00  0.0000000000E+00
  1.5654672331E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.2068426187E-05 -4.5510460908E-07
  1.2068426187E-05  0.0000000000E+00  0.0000000000E+00
 -4.5510460908E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.1536377899E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5673230272E-05  4.5510460908E-07
  0.0000000000E+00  4.5510460908E-07  2.9268381138E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.5510460908E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5510460908E-07  1.5654672331E-05
  0.0000000000E+00  1.5654672331E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -4.5510460908E-07  1.5654672331E-05
 -4.5510460908E-07  0.0000000000E+00  0.0000000000E+00
  1.5654672331E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.5510460908E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5510460908E-07  1.5654672331E-05
  0.0000000000E+00  1.5654672331E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.9268381138E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9268381138E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5832601853E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.5962167922E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5962167922E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2239673299E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.1403938163E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.9218267393E-05 -2.7306276545E-06
  0.0000000000E+00 -2.7306276545E-06  1.7561028683E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  7.2410557120E-05 -2.7306276545E-06
  7.2410557120E-05  0.0000000000E+00  0.0000000000E+00
 -2.7306276545E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.7306276545E-06  9.3928033985E-05
 -2.7306276545E-06  0.0000000000E+00  0.0000000000E+00
  9.3928033985E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  7.2410557120E-05 -2.7306276545E-06
  7.2410557120E-05  0.0000000000E+00  0.0000000000E+00
 -2.7306276545E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  6.9218267393E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1403938163E-04  2.7306276545E-06
  0.0000000000E+00  2.7306276545E-06  1.7561028683E-04

 Crystal Tensor_qq(ke,je,3,2)
 -2.7306276545E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7306276545E-06  9.3928033985E-05
  0.0000000000E+00  9.3928033985E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.7306276545E-06  9.3928033985E-05
 -2.7306276545E-06  0.0000000000E+00  0.0000000000E+00
  9.3928033985E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.7306276545E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7306276545E-06  9.3928033985E-05
  0.0000000000E+00  9.3928033985E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.7561028683E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7561028683E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.4995611121E-04

 Convertion factor = 110.12643 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -13.800  4.66863E-03  4.66863E-03  4.69014E-03  8.62114E-03  1.23336E-02  8.62114E-03  7.25993E-03
   dip-dip  4.59622E-03  4.59622E-03  4.59622E-03  8.41795E-03  1.22397E-02  8.41795E-03  7.14404E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  7.24106E-05  7.24106E-05  9.39280E-05  2.03194E-04  9.39280E-05  2.03194E-04  1.15893E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.78396E-04  1.32920E-19 -7.49145E-04 -5.58174E-19
   dip-dip  4.74979E-17  0.00000E+00  3.89716E-17  0.00000E+00
   dip-qua  1.78396E-04  1.32920E-19 -7.49145E-04 -5.58174E-19
   qua-qua  1.02561E-22  0.00000E+00 -1.91710E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -13.70000 eV

 Vmoy = -16.35644 eV, Vmftabs = -19.87367 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      6.692E-06 -6.209E-06   -7.399E-03  6.865E-03   -1.386E-03  1.286E-03
  1  0    1  1     -1.708E-03 -1.941E-03    4.373E-02  4.967E-02    4.956E-03  5.629E-03
  2  0    1  1     -1.665E-03  1.343E-03    6.965E-02 -5.619E-02    1.332E-02 -1.075E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.5455258776E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5455258776E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5092726455E-03

 Tensor_dq(1,ks,j2), prototypical atom
  2.4483948671E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4483948671E-05 -1.9315801987E-06
  0.0000000000E+00 -1.9315801987E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -2.4483948671E-05  1.9315801987E-06
 -2.4483948671E-05  0.0000000000E+00  0.0000000000E+00
  1.9315801987E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  4.6667677302E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0359881225E-05 -4.9817896043E-07
  0.0000000000E+00 -4.9817896043E-07  5.3349844124E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.3153898038E-05 -4.9817896043E-07
  1.3153898038E-05  0.0000000000E+00  0.0000000000E+00
 -4.9817896043E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -4.9817896043E-07  1.7353888252E-05
 -4.9817896043E-07  0.0000000000E+00  0.0000000000E+00
  1.7353888252E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.3153898038E-05 -4.9817896043E-07
  1.3153898038E-05  0.0000000000E+00  0.0000000000E+00
 -4.9817896043E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.0359881225E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6667677302E-05  4.9817896043E-07
  0.0000000000E+00  4.9817896043E-07  5.3349844124E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.9817896043E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9817896043E-07  1.7353888252E-05
  0.0000000000E+00  1.7353888252E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -4.9817896043E-07  1.7353888252E-05
 -4.9817896043E-07  0.0000000000E+00  0.0000000000E+00
  1.7353888252E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.9817896043E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9817896043E-07  1.7353888252E-05
  0.0000000000E+00  1.7353888252E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  5.3349844124E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3349844124E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6021391539E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.1273155266E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1273155266E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5055635873E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.8000606381E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2215928735E-04 -2.9890737626E-06
  0.0000000000E+00 -2.9890737626E-06  3.2009906474E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  7.8923388229E-05 -2.9890737626E-06
  7.8923388229E-05  0.0000000000E+00  0.0000000000E+00
 -2.9890737626E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.9890737626E-06  1.0412332951E-04
 -2.9890737626E-06  0.0000000000E+00  0.0000000000E+00
  1.0412332951E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  7.8923388229E-05 -2.9890737626E-06
  7.8923388229E-05  0.0000000000E+00  0.0000000000E+00
 -2.9890737626E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.2215928735E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8000606381E-04  2.9890737626E-06
  0.0000000000E+00  2.9890737626E-06  3.2009906474E-04

 Crystal Tensor_qq(ke,je,3,2)
 -2.9890737626E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9890737626E-06  1.0412332951E-04
  0.0000000000E+00  1.0412332951E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.9890737626E-06  1.0412332951E-04
 -2.9890737626E-06  0.0000000000E+00  0.0000000000E+00
  1.0412332951E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.9890737626E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9890737626E-06  1.0412332951E-04
  0.0000000000E+00  1.0412332951E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.2009906474E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2009906474E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5612834923E-03

 Convertion factor = 110.12786 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -13.700  5.20624E-03  5.20624E-03  5.23144E-03  1.03917E-02  1.51598E-02  1.03917E-02  8.58479E-03
   dip-dip  5.12732E-03  5.12732E-03  5.12732E-03  1.00915E-02  1.50556E-02  1.00915E-02  8.43676E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  7.89234E-05  7.89234E-05  1.04123E-04  3.00273E-04  1.04123E-04  3.00273E-04  1.48030E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.26246E-04  1.68572E-19 -8.94524E-04 -6.66493E-19
   dip-dip  6.16973E-17  0.00000E+00  5.06221E-17  0.00000E+00
   dip-qua  2.26246E-04  1.68572E-19 -8.94524E-04 -6.66493E-19
   qua-qua -1.07523E-21  0.00000E+00 -2.53025E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -13.60000 eV

 Vmoy = -16.35752 eV, Vmftabs = -19.87598 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      6.972E-06 -6.442E-06   -7.708E-03  7.123E-03   -1.444E-03  1.334E-03
  1  0    1  1     -1.815E-03 -2.084E-03    4.646E-02  5.334E-02    5.265E-03  6.045E-03
  2  0    1  1     -1.874E-03  1.485E-03    7.840E-02 -6.212E-02    1.500E-02 -1.188E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.6428210700E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.6428210700E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1844201545E-03

 Tensor_dq(1,ks,j2), prototypical atom
  2.9041913428E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9041913428E-05 -2.4335490593E-06
  0.0000000000E+00 -2.4335490593E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -2.9041913428E-05  2.4335490593E-06
 -2.9041913428E-05  0.0000000000E+00  0.0000000000E+00
  2.4335490593E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  6.8577014112E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9633963816E-05 -5.4025305998E-07
  0.0000000000E+00 -5.4025305998E-07  1.1198766967E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.4471525148E-05 -5.4025305998E-07
  1.4471525148E-05  0.0000000000E+00  0.0000000000E+00
 -5.4025305998E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -5.4025305998E-07  1.9431009575E-05
 -5.4025305998E-07  0.0000000000E+00  0.0000000000E+00
  1.9431009575E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.4471525148E-05 -5.4025305998E-07
  1.4471525148E-05  0.0000000000E+00  0.0000000000E+00
 -5.4025305998E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.9633963816E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8577014112E-05  5.4025305998E-07
  0.0000000000E+00  5.4025305998E-07  1.1198766967E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -5.4025305998E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4025305998E-07  1.9431009575E-05
  0.0000000000E+00  1.9431009575E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -5.4025305998E-07  1.9431009575E-05
 -5.4025305998E-07  0.0000000000E+00  0.0000000000E+00
  1.9431009575E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -5.4025305998E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4025305998E-07  1.9431009575E-05
  0.0000000000E+00  1.9431009575E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.1198766967E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1198766967E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.0232303337E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.7856926420E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7856926420E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9106520927E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.1146208467E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3780378289E-04 -3.2415183599E-06
  0.0000000000E+00 -3.2415183599E-06  6.7192601803E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  8.6829150890E-05 -3.2415183599E-06
  8.6829150890E-05  0.0000000000E+00  0.0000000000E+00
 -3.2415183599E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.2415183599E-06  1.1658605745E-04
 -3.2415183599E-06  0.0000000000E+00  0.0000000000E+00
  1.1658605745E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  8.6829150890E-05 -3.2415183599E-06
  8.6829150890E-05  0.0000000000E+00  0.0000000000E+00
 -3.2415183599E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.3780378289E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1146208467E-04  3.2415183599E-06
  0.0000000000E+00  3.2415183599E-06  6.7192601803E-04

 Crystal Tensor_qq(ke,je,3,2)
 -3.2415183599E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2415183599E-06  1.1658605745E-04
  0.0000000000E+00  1.1658605745E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.2415183599E-06  1.1658605745E-04
 -3.2415183599E-06  0.0000000000E+00  0.0000000000E+00
  1.1658605745E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.2415183599E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2415183599E-06  1.1658605745E-04
  0.0000000000E+00  1.1658605745E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  6.7192601803E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.7192601803E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0139382002E-03

 Convertion factor = 110.12929 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -13.600  5.87252E-03  5.87252E-03  5.90228E-03  1.29665E-02  1.92231E-02  1.29665E-02  1.04403E-02
   dip-dip  5.78569E-03  5.78569E-03  5.78569E-03  1.24461E-02  1.91065E-02  1.24461E-02  1.02260E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  8.68292E-05  8.68292E-05  1.16586E-04  5.20387E-04  1.16586E-04  5.20387E-04  2.14347E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.90217E-04  2.16235E-19 -1.08206E-03 -8.06221E-19
   dip-dip  8.27804E-17  0.00000E+00  6.79205E-17  0.00000E+00
   dip-qua  2.90217E-04  2.16235E-19 -1.08206E-03 -8.06221E-19
   qua-qua -1.04933E-20  0.00000E+00 -4.00250E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -13.50000 eV

 Vmoy = -16.35858 eV, Vmftabs = -19.87825 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      7.281E-06 -6.696E-06   -8.050E-03  7.403E-03   -1.508E-03  1.387E-03
  1  0    1  1     -1.937E-03 -2.253E-03    4.958E-02  5.766E-02    5.620E-03  6.535E-03
  2  0    1  1     -2.132E-03  1.653E-03    8.921E-02 -6.916E-02    1.706E-02 -1.323E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1026640569E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1026640569E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2072503195E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.4945480528E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4945480528E-05 -3.1105410967E-06
  0.0000000000E+00 -3.1105410967E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.4945480528E-05  3.1105410967E-06
 -3.4945480528E-05  0.0000000000E+00  0.0000000000E+00
  3.1105410967E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2383716489E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1622532494E-05 -5.7598694326E-07
  0.0000000000E+00 -5.7598694326E-07  2.8728838518E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.6107316197E-05 -5.7598694326E-07
  1.6107316197E-05  0.0000000000E+00  0.0000000000E+00
 -5.7598694326E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -5.7598694326E-07  2.2018342386E-05
 -5.7598694326E-07  0.0000000000E+00  0.0000000000E+00
  2.2018342386E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.6107316197E-05 -5.7598694326E-07
  1.6107316197E-05  0.0000000000E+00  0.0000000000E+00
 -5.7598694326E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  9.1622532494E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2383716489E-04  5.7598694326E-07
  0.0000000000E+00  5.7598694326E-07  2.8728838518E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -5.7598694326E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7598694326E-07  2.2018342386E-05
  0.0000000000E+00  2.2018342386E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -5.7598694326E-07  2.2018342386E-05
 -5.7598694326E-07  0.0000000000E+00  0.0000000000E+00
  2.2018342386E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -5.7598694326E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7598694326E-07  2.2018342386E-05
  0.0000000000E+00  2.2018342386E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.8728838518E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8728838518E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2132517327E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.6159843413E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6159843413E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5243501917E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  7.4302298934E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4973519497E-04 -3.4559216595E-06
  0.0000000000E+00 -3.4559216595E-06  1.7237303111E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  9.6643897184E-05 -3.4559216595E-06
  9.6643897184E-05  0.0000000000E+00  0.0000000000E+00
 -3.4559216595E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.4559216595E-06  1.3211005431E-04
 -3.4559216595E-06  0.0000000000E+00  0.0000000000E+00
  1.3211005431E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  9.6643897184E-05 -3.4559216595E-06
  9.6643897184E-05  0.0000000000E+00  0.0000000000E+00
 -3.4559216595E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  5.4973519497E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.4302298934E-04  3.4559216595E-06
  0.0000000000E+00  3.4559216595E-06  1.7237303111E-03

 Crystal Tensor_qq(ke,je,3,2)
 -3.4559216595E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4559216595E-06  1.3211005431E-04
  0.0000000000E+00  1.3211005431E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.4559216595E-06  1.3211005431E-04
 -3.4559216595E-06  0.0000000000E+00  0.0000000000E+00
  1.3211005431E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.4559216595E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4559216595E-06  1.3211005431E-04
  0.0000000000E+00  1.3211005431E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.7237303111E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7237303111E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.2795103963E-03

 Convertion factor = 110.13072 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -13.500  6.71263E-03  6.71263E-03  6.74809E-03  1.70735E-02  2.53756E-02  1.70735E-02  1.32152E-02
   dip-dip  6.61598E-03  6.61598E-03  6.61598E-03  1.59297E-02  2.52435E-02  1.59297E-02  1.28252E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  9.66439E-05  9.66439E-05  1.32110E-04  1.14377E-03  1.32110E-04  1.14377E-03  3.90064E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  3.77192E-04  2.81039E-19 -1.32891E-03 -9.90148E-19
   dip-dip  1.15760E-16  0.00000E+00  9.49796E-17  0.00000E+00
   dip-qua  3.77192E-04  2.81039E-19 -1.32891E-03 -9.90148E-19
   qua-qua -5.33588E-20  0.00000E+00 -8.48715E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -13.40000 eV

 Vmoy = -16.35963 eV, Vmftabs = -19.88060 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      7.627E-06 -6.974E-06   -8.432E-03  7.711E-03   -1.580E-03  1.445E-03
  1  0    1  1     -2.078E-03 -2.455E-03    5.320E-02  6.284E-02    6.029E-03  7.121E-03
  2  0    1  1     -2.458E-03  1.856E-03    1.028E-01 -7.765E-02    1.967E-02 -1.485E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.2808164430E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2808164430E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.8662971077E-03

 Tensor_dq(1,ks,j2), prototypical atom
  4.2790750430E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2790750430E-05 -4.0427995691E-06
  0.0000000000E+00 -4.0427995691E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -4.2790750430E-05  4.0427995691E-06
 -4.2790750430E-05  0.0000000000E+00  0.0000000000E+00
  4.0427995691E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.2672034048E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9033072553E-04 -5.9464905954E-07
  0.0000000000E+00 -5.9464905954E-07  6.1941837086E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.8194807474E-05 -5.9464905954E-07
  1.8194807474E-05  0.0000000000E+00  0.0000000000E+00
 -5.9464905954E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -5.9464905954E-07  2.5314779038E-05
 -5.9464905954E-07  0.0000000000E+00  0.0000000000E+00
  2.5314779038E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.8194807474E-05 -5.9464905954E-07
  1.8194807474E-05  0.0000000000E+00  0.0000000000E+00
 -5.9464905954E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.9033072553E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2672034048E-04  5.9464905954E-07
  0.0000000000E+00  5.9464905954E-07  6.1941837086E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -5.9464905954E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9464905954E-07  2.5314779038E-05
  0.0000000000E+00  2.5314779038E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -5.9464905954E-07  2.5314779038E-05
 -5.9464905954E-07  0.0000000000E+00  0.0000000000E+00
  2.5314779038E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -5.9464905954E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9464905954E-07  2.5314779038E-05
  0.0000000000E+00  2.5314779038E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  6.1941837086E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1941837086E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5558083951E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  7.6848986578E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.6848986578E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5197782646E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.3603220429E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1419843532E-03 -3.5678943572E-06
  0.0000000000E+00 -3.5678943572E-06  3.7165102251E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.0916884484E-04 -3.5678943572E-06
  1.0916884484E-04  0.0000000000E+00  0.0000000000E+00
 -3.5678943572E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.5678943572E-06  1.5188867423E-04
 -3.5678943572E-06  0.0000000000E+00  0.0000000000E+00
  1.5188867423E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.0916884484E-04 -3.5678943572E-06
  1.0916884484E-04  0.0000000000E+00  0.0000000000E+00
 -3.5678943572E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.1419843532E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3603220429E-03  3.5678943572E-06
  0.0000000000E+00  3.5678943572E-06  3.7165102251E-03

 Crystal Tensor_qq(ke,je,3,2)
 -3.5678943572E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5678943572E-06  1.5188867423E-04
  0.0000000000E+00  1.5188867423E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.5678943572E-06  1.5188867423E-04
 -3.5678943572E-06  0.0000000000E+00  0.0000000000E+00
  1.5188867423E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.5678943572E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5678943572E-06  1.5188867423E-04
  0.0000000000E+00  1.5188867423E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.7165102251E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7165102251E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5334850370E-02

 Convertion factor = 110.13215 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -13.400  7.79407E-03  7.79407E-03  7.83679E-03  2.37569E-02  3.53497E-02  2.37569E-02  1.75705E-02
   dip-dip  7.68490E-03  7.68490E-03  7.68490E-03  2.14413E-02  3.51978E-02  2.14413E-02  1.68559E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.09169E-04  1.09169E-04  1.51889E-04  2.31554E-03  1.51889E-04  2.31554E-03  7.14622E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  4.97777E-04  3.70884E-19 -1.66177E-03 -1.23815E-18
   dip-dip  1.70979E-16  0.00000E+00  1.40287E-16  0.00000E+00
   dip-qua  4.97777E-04  3.70884E-19 -1.66177E-03 -1.23815E-18
   qua-qua -1.40472E-19  0.00000E+00 -1.70076E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -13.30000 eV

 Vmoy = -16.36086 eV, Vmftabs = -19.88296 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      8.020E-06 -7.283E-06   -8.867E-03  8.052E-03   -1.661E-03  1.509E-03
  1  0    1  1     -2.244E-03 -2.702E-03    5.744E-02  6.917E-02    6.509E-03  7.839E-03
  2  0    1  1     -2.880E-03  2.104E-03    1.205E-01 -8.802E-02    2.305E-02 -1.684E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5159704058E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5159704058E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.8198859902E-03

 Tensor_dq(1,ks,j2), prototypical atom
  5.3551502856E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.3551502856E-05 -5.3578508025E-06
  0.0000000000E+00 -5.3578508025E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -5.3551502856E-05  5.3578508025E-06
 -5.3551502856E-05  0.0000000000E+00  0.0000000000E+00
  5.3578508025E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.8936621188E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4746418625E-04 -5.7435194366E-07
  0.0000000000E+00 -5.7435194366E-07  3.1918452635E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.0951012814E-05 -5.7435194366E-07
  2.0951012814E-05  0.0000000000E+00  0.0000000000E+00
 -5.7435194366E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -5.7435194366E-07  2.9630765484E-05
 -5.7435194366E-07  0.0000000000E+00  0.0000000000E+00
  2.9630765484E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.0951012814E-05 -5.7435194366E-07
  2.0951012814E-05  0.0000000000E+00  0.0000000000E+00
 -5.7435194366E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.4746418625E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8936621188E-04  5.7435194366E-07
  0.0000000000E+00  5.7435194366E-07  3.1918452635E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -5.7435194366E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7435194366E-07  2.9630765484E-05
  0.0000000000E+00  2.9630765484E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -5.7435194366E-07  2.9630765484E-05
 -5.7435194366E-07  0.0000000000E+00  0.0000000000E+00
  2.9630765484E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -5.7435194366E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7435194366E-07  2.9630765484E-05
  0.0000000000E+00  2.9630765484E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  3.1918452635E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1918452635E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4080736789E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.0958224351E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0958224351E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.2919315941E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.1361972713E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.8478511751E-04 -3.4461116620E-06
  0.0000000000E+00 -3.4461116620E-06  1.9151071581E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2570607688E-04 -3.4461116620E-06
  1.2570607688E-04  0.0000000000E+00  0.0000000000E+00
 -3.4461116620E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.4461116620E-06  1.7778459290E-04
 -3.4461116620E-06  0.0000000000E+00  0.0000000000E+00
  1.7778459290E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2570607688E-04 -3.4461116620E-06
  1.2570607688E-04  0.0000000000E+00  0.0000000000E+00
 -3.4461116620E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  8.8478511751E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1361972713E-03  3.4461116620E-06
  0.0000000000E+00  3.4461116620E-06  1.9151071581E-03

 Crystal Tensor_qq(ke,je,3,2)
 -3.4461116620E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4461116620E-06  1.7778459290E-04
  0.0000000000E+00  1.7778459290E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.4461116620E-06  1.7778459290E-04
 -3.4461116620E-06  0.0000000000E+00  0.0000000000E+00
  1.7778459290E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.4461116620E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4461116620E-06  1.7778459290E-04
  0.0000000000E+00  1.7778459290E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.9151071581E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9151071581E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.4484420734E-03

 Convertion factor = 110.13358 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -13.300  9.22153E-03  9.22153E-03  9.27361E-03  3.24462E-02  5.30971E-02  3.24462E-02  2.42003E-02
   dip-dip  9.09582E-03  9.09582E-03  9.09582E-03  3.10076E-02  5.29193E-02  3.10076E-02  2.37037E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.25706E-04  1.25706E-04  1.77785E-04  1.43861E-03  1.77785E-04  1.43861E-03  4.96644E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  6.68753E-04  4.98275E-19 -2.12369E-03 -1.58232E-18
   dip-dip  2.72345E-16  0.00000E+00  2.23457E-16  0.00000E+00
   dip-qua  6.68753E-04  4.98275E-19 -2.12369E-03 -1.58232E-18
   qua-qua -1.43523E-20  0.00000E+00 -8.66940E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -13.20000 eV

 Vmoy = -16.36199 eV, Vmftabs = -19.88559 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      8.470E-06 -7.626E-06   -9.365E-03  8.431E-03   -1.754E-03  1.580E-03
  1  0    1  1     -2.440E-03 -3.012E-03    6.245E-02  7.708E-02    7.078E-03  8.735E-03
  2  0    1  1     -3.443E-03  2.410E-03    1.440E-01 -1.008E-01    2.755E-02 -1.929E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.8355880467E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8355880467E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4812475106E-02

 Tensor_dq(1,ks,j2), prototypical atom
  6.8895868594E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.8895868594E-05 -7.2616075444E-06
  0.0000000000E+00 -7.2616075444E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -6.8895868594E-05  7.2616075444E-06
 -6.8895868594E-05  0.0000000000E+00  0.0000000000E+00
  7.2616075444E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.2108778094E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7159668538E-04 -4.6927656755E-07
  0.0000000000E+00 -4.6927656755E-07  8.0976843150E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.4745547778E-05 -4.6927656755E-07
  2.4745547778E-05  0.0000000000E+00  0.0000000000E+00
 -4.6927656755E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -4.6927656755E-07  3.5468602714E-05
 -4.6927656755E-07  0.0000000000E+00  0.0000000000E+00
  3.5468602714E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.4745547778E-05 -4.6927656755E-07
  2.4745547778E-05  0.0000000000E+00  0.0000000000E+00
 -4.6927656755E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.7159668538E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2108778094E-04  4.6927656755E-07
  0.0000000000E+00  4.6927656755E-07  8.0976843150E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.6927656755E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6927656755E-07  3.5468602714E-05
  0.0000000000E+00  3.5468602714E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -4.6927656755E-07  3.5468602714E-05
 -4.6927656755E-07  0.0000000000E+00  0.0000000000E+00
  3.5468602714E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.6927656755E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6927656755E-07  3.5468602714E-05
  0.0000000000E+00  3.5468602714E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  8.0976843150E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0976843150E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.8034636043E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.1013528280E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1013528280E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.8874850634E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.3265266856E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0295801123E-03 -2.8156594053E-06
  0.0000000000E+00 -2.8156594053E-06  4.8586105890E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.4847328667E-04 -2.8156594053E-06
  1.4847328667E-04  0.0000000000E+00  0.0000000000E+00
 -2.8156594053E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.8156594053E-06  2.1281161628E-04
 -2.8156594053E-06  0.0000000000E+00  0.0000000000E+00
  2.1281161628E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.4847328667E-04 -2.8156594053E-06
  1.4847328667E-04  0.0000000000E+00  0.0000000000E+00
 -2.8156594053E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.0295801123E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3265266856E-03  2.8156594053E-06
  0.0000000000E+00  2.8156594053E-06  4.8586105890E-04

 Crystal Tensor_qq(ke,je,3,2)
 -2.8156594053E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8156594053E-06  2.1281161628E-04
  0.0000000000E+00  2.1281161628E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.8156594053E-06  2.1281161628E-04
 -2.8156594053E-06  0.0000000000E+00  0.0000000000E+00
  2.1281161628E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.8156594053E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8156594053E-06  2.1281161628E-04
  0.0000000000E+00  2.1281161628E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.8586105890E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8586105890E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4820781626E-03

 Convertion factor = 110.13501 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -13.200  1.11620E-02  1.11620E-02  1.12263E-02  5.09034E-02  8.90877E-02  5.09034E-02  3.73577E-02
   dip-dip  1.10135E-02  1.10135E-02  1.10135E-02  4.99442E-02  8.88749E-02  4.99442E-02  3.69673E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.48473E-04  1.48473E-04  2.12812E-04  9.59221E-04  2.12812E-04  9.59221E-04  3.90408E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  9.16941E-04  6.83196E-19 -2.78657E-03 -2.07623E-18
   dip-dip  4.83883E-16  0.00000E+00  3.97022E-16  0.00000E+00
   dip-qua  9.16941E-04  6.83196E-19 -2.78657E-03 -2.07623E-18
   qua-qua  9.82884E-20  0.00000E+00 -2.48167E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -13.10000 eV

 Vmoy = -16.36309 eV, Vmftabs = -19.88823 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      8.999E-06 -8.012E-06   -9.949E-03  8.858E-03   -1.864E-03  1.660E-03
  1  0    1  1     -2.675E-03 -3.411E-03    6.847E-02  8.729E-02    7.760E-03  9.893E-03
  2  0    1  1     -4.224E-03  2.794E-03    1.767E-01 -1.169E-01    3.380E-02 -2.236E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2865270650E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2865270650E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9474314324E-02

 Tensor_dq(1,ks,j2), prototypical atom
  9.1901273381E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.1901273381E-05 -1.0098659614E-05
  0.0000000000E+00 -1.0098659614E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -9.1901273381E-05  1.0098659614E-05
 -9.1901273381E-05  0.0000000000E+00  0.0000000000E+00
  1.0098659614E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  4.5240577208E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9188798043E-04 -1.7829389352E-07
  0.0000000000E+00 -1.7829389352E-07 -7.1916883457E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.0258895829E-05 -1.7829389352E-07
  3.0258895829E-05  0.0000000000E+00  0.0000000000E+00
 -1.7829389352E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.7829389352E-07  4.3696903489E-05
 -1.7829389352E-07  0.0000000000E+00  0.0000000000E+00
  4.3696903489E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.0258895829E-05 -1.7829389352E-07
  3.0258895829E-05  0.0000000000E+00  0.0000000000E+00
 -1.7829389352E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.9188798043E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5240577208E-04  1.7829389352E-07
  0.0000000000E+00  1.7829389352E-07 -7.1916883457E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.7829389352E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7829389352E-07  4.3696903489E-05
  0.0000000000E+00  4.3696903489E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.7829389352E-07  4.3696903489E-05
 -1.7829389352E-07  0.0000000000E+00  0.0000000000E+00
  4.3696903489E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.7829389352E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7829389352E-07  4.3696903489E-05
  0.0000000000E+00  4.3696903489E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -7.1916883457E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.1916883457E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2928270491E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3719162390E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3719162390E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7684588594E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.7144346325E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3513278826E-03 -1.0697633611E-06
  0.0000000000E+00 -1.0697633611E-06 -4.3150130074E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.8155337497E-04 -1.0697633611E-06
  1.8155337497E-04  0.0000000000E+00  0.0000000000E+00
 -1.0697633611E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.0697633611E-06  2.6218142093E-04
 -1.0697633611E-06  0.0000000000E+00  0.0000000000E+00
  2.6218142093E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.8155337497E-04 -1.0697633611E-06
  1.8155337497E-04  0.0000000000E+00  0.0000000000E+00
 -1.0697633611E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.3513278826E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7144346325E-03  1.0697633611E-06
  0.0000000000E+00  1.0697633611E-06 -4.3150130074E-04

 Crystal Tensor_qq(ke,je,3,2)
 -1.0697633611E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0697633611E-06  2.6218142093E-04
  0.0000000000E+00  2.6218142093E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.0697633611E-06  2.6218142093E-04
 -1.0697633611E-06  0.0000000000E+00  0.0000000000E+00
  2.6218142093E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.0697633611E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0697633611E-06  2.6218142093E-04
  0.0000000000E+00  2.6218142093E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.3150130074E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3150130074E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9756962294E-03

 Convertion factor = 110.13644 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -13.100  1.39007E-02  1.39007E-02  1.39813E-02  9.66708E-02  1.77108E-01  9.66708E-02  6.86303E-02
   dip-dip  1.37192E-02  1.37192E-02  1.37192E-02  9.52825E-02  1.76846E-01  9.52825E-02  6.80947E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.81553E-04  1.81553E-04  2.62181E-04  1.38828E-03  2.62181E-04  1.38828E-03  5.35599E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.28641E-03  9.58479E-19 -3.77790E-03 -2.81484E-18
   dip-dip  1.01379E-15  0.00000E+00  8.31808E-16  0.00000E+00
   dip-qua  1.28641E-03  9.58479E-19 -3.77790E-03 -2.81484E-18
   qua-qua  1.68430E-19  0.00000E+00 -1.59806E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -13.00000 eV

 Vmoy = -16.36426 eV, Vmftabs = -19.89082 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      9.637E-06 -8.451E-06   -1.066E-02  9.344E-03   -1.996E-03  1.751E-03
  1  0    1  1     -2.961E-03 -3.948E-03    7.579E-02  1.010E-01    8.589E-03  1.145E-02
  2  0    1  1     -5.364E-03  3.278E-03    2.244E-01 -1.371E-01    4.293E-02 -2.623E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.9540168258E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9540168258E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.3217525267E-02

 Tensor_dq(1,ks,j2), prototypical atom
  1.2874579915E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2874579915E-04 -1.4448435819E-05
  0.0000000000E+00 -1.4448435819E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.2874579915E-04  1.4448435819E-05
 -1.2874579915E-04  0.0000000000E+00  0.0000000000E+00
  1.4448435819E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  7.2379036794E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.4607899831E-04  5.3909239698E-07
  0.0000000000E+00  5.3909239698E-07 -1.9245459267E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.8855684817E-05  5.3909239698E-07
  3.8855684817E-05  0.0000000000E+00  0.0000000000E+00
  5.3909239698E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  5.3909239698E-07  5.5923620021E-05
  5.3909239698E-07  0.0000000000E+00  0.0000000000E+00
  5.5923620021E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.8855684817E-05  5.3909239698E-07
  3.8855684817E-05  0.0000000000E+00  0.0000000000E+00
  5.3909239698E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  6.4607899831E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2379036794E-04 -5.3909239698E-07
  0.0000000000E+00 -5.3909239698E-07 -1.9245459267E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  5.3909239698E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.3909239698E-07  5.5923620021E-05
  0.0000000000E+00  5.5923620021E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  5.3909239698E-07  5.5923620021E-05
  5.3909239698E-07  0.0000000000E+00  0.0000000000E+00
  5.5923620021E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  5.3909239698E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.3909239698E-07  5.5923620021E-05
  0.0000000000E+00  5.5923620021E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.9245459267E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9245459267E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4734744302E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.7724100955E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7724100955E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.3930515160E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.3427422077E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8764739899E-03  3.2345543819E-06
  0.0000000000E+00  3.2345543819E-06 -1.1547275560E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.3313410890E-04  3.2345543819E-06
  2.3313410890E-04  0.0000000000E+00  0.0000000000E+00
  3.2345543819E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.2345543819E-06  3.3554172012E-04
  3.2345543819E-06  0.0000000000E+00  0.0000000000E+00
  3.3554172012E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.3313410890E-04  3.2345543819E-06
  2.3313410890E-04  0.0000000000E+00  0.0000000000E+00
  3.2345543819E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  3.8764739899E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3427422077E-03 -3.2345543819E-06
  0.0000000000E+00 -3.2345543819E-06 -1.1547275560E-03

 Crystal Tensor_qq(ke,je,3,2)
  3.2345543819E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2345543819E-06  3.3554172012E-04
  0.0000000000E+00  3.3554172012E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.2345543819E-06  3.3554172012E-04
  3.2345543819E-06  0.0000000000E+00  0.0000000000E+00
  3.3554172012E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.2345543819E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2345543819E-06  3.3554172012E-04
  0.0000000000E+00  3.3554172012E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.1547275560E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1547275560E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4840846581E-03

 Convertion factor = 110.13788 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -13.000  1.79572E-02  1.79572E-02  1.80596E-02  2.30549E-01  4.39641E-01  2.30549E-01  1.59005E-01
   dip-dip  1.77241E-02  1.77241E-02  1.77241E-02  2.28515E-01  4.39305E-01  2.28515E-01  1.58251E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.33134E-04  2.33134E-04  3.35542E-04  2.03407E-03  3.35542E-04  2.03407E-03  7.54347E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.84838E-03  1.37719E-18 -5.33697E-03 -3.97648E-18
   dip-dip  2.62006E-15  0.00000E+00  2.14973E-15  0.00000E+00
   dip-qua  1.84838E-03  1.37719E-18 -5.33697E-03 -3.97648E-18
   qua-qua  3.07004E-19  0.00000E+00  1.49506E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -12.90000 eV

 Vmoy = -16.36562 eV, Vmftabs = -19.89337 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.044E-05 -8.958E-06   -1.154E-02  9.904E-03   -2.162E-03  1.856E-03
  1  0    1  1     -3.310E-03 -4.714E-03    8.472E-02  1.206E-01    9.601E-03  1.367E-02
  2  0    1  1     -7.151E-03  3.872E-03    2.992E-01 -1.620E-01    5.723E-02 -3.099E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.0074810146E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0074810146E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3284209003E-01

 Tensor_dq(1,ks,j2), prototypical atom
  1.9328954020E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9328954020E-04 -2.1230199077E-05
  0.0000000000E+00 -2.1230199077E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.9328954020E-04  2.1230199077E-05
 -1.9328954020E-04  0.0000000000E+00  0.0000000000E+00
  2.1230199077E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  3.6315054825E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5594976342E-04  2.3172511957E-06
  0.0000000000E+00  2.3172511957E-06 -8.1040600032E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.3600392414E-05  2.3172511957E-06
  5.3600392414E-05  0.0000000000E+00  0.0000000000E+00
  2.3172511957E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.3172511957E-06  7.5406830473E-05
  2.3172511957E-06  0.0000000000E+00  0.0000000000E+00
  7.5406830473E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.3600392414E-05  2.3172511957E-06
  5.3600392414E-05  0.0000000000E+00  0.0000000000E+00
  2.3172511957E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.5594976342E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6315054825E-04 -2.3172511957E-06
  0.0000000000E+00 -2.3172511957E-06 -8.1040600032E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.3172511957E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3172511957E-06  7.5406830473E-05
  0.0000000000E+00  7.5406830473E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.3172511957E-06  7.5406830473E-05
  2.3172511957E-06  0.0000000000E+00  0.0000000000E+00
  7.5406830473E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.3172511957E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3172511957E-06  7.5406830473E-05
  0.0000000000E+00  7.5406830473E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -8.1040600032E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.1040600032E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4981586807E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.4044886087E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4044886087E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.9705254018E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.1789032895E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5356985805E-03  1.3903507174E-05
  0.0000000000E+00  1.3903507174E-05 -4.8624360019E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.2160235448E-04  1.3903507174E-05
  3.2160235448E-04  0.0000000000E+00  0.0000000000E+00
  1.3903507174E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.3903507174E-05  4.5244098284E-04
  1.3903507174E-05  0.0000000000E+00  0.0000000000E+00
  4.5244098284E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.2160235448E-04  1.3903507174E-05
  3.2160235448E-04  0.0000000000E+00  0.0000000000E+00
  1.3903507174E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.5356985805E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1789032895E-03 -1.3903507174E-05
  0.0000000000E+00 -1.3903507174E-05 -4.8624360019E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.3903507174E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3903507174E-05  4.5244098284E-04
  0.0000000000E+00  4.5244098284E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.3903507174E-05  4.5244098284E-04
  1.3903507174E-05  0.0000000000E+00  0.0000000000E+00
  4.5244098284E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.3903507174E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3903507174E-05  4.5244098284E-04
  0.0000000000E+00  4.5244098284E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.8624360019E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.8624360019E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.9889520843E-04

 Convertion factor = 110.13931 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -12.900  2.43665E-02  2.43665E-02  2.44973E-02  4.11561E-01  7.97505E-01  4.11561E-01  2.82272E-01
   dip-dip  2.40449E-02  2.40449E-02  2.40449E-02  4.10549E-01  7.97053E-01  4.10549E-01  2.81714E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.21602E-04  3.21602E-04  4.52441E-04  1.01257E-03  4.52441E-04  1.01257E-03  5.58196E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.70421E-03  2.01486E-18 -7.94458E-03 -5.91936E-18
   dip-dip  4.80418E-15  0.00000E+00  3.94179E-15  0.00000E+00
   dip-qua  2.70421E-03  2.01486E-18 -7.94458E-03 -5.91936E-18
   qua-qua  8.01640E-19  0.00000E+00  2.67539E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -12.80000 eV

 Vmoy = -16.36738 eV, Vmftabs = -19.89588 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.151E-05 -9.546E-06   -1.273E-02  1.055E-02   -2.384E-03  1.977E-03
  1  0    1  1     -3.721E-03 -5.897E-03    9.523E-02  1.509E-01    1.079E-02  1.710E-02
  2  0    1  1     -1.023E-02  4.497E-03    4.281E-01 -1.881E-01    8.189E-02 -3.599E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.8271636554E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8271636554E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.3449430626E-02

 Tensor_dq(1,ks,j2), prototypical atom
  3.2158452864E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2158452864E-04 -3.1393679831E-05
  0.0000000000E+00 -3.1393679831E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.2158452864E-04  3.1393679831E-05
 -3.2158452864E-04  0.0000000000E+00  0.0000000000E+00
  3.1393679831E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.1562449556E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0636733309E-05  7.0845925805E-06
  0.0000000000E+00  7.0845925805E-06 -2.9928543238E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.2493881128E-05  7.0845925805E-06
  8.2493881128E-05  0.0000000000E+00  0.0000000000E+00
  7.0845925805E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  7.0845925805E-06  1.0959161061E-04
  7.0845925805E-06  0.0000000000E+00  0.0000000000E+00
  1.0959161061E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.2493881128E-05  7.0845925805E-06
  8.2493881128E-05  0.0000000000E+00  0.0000000000E+00
  7.0845925805E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  5.0636733309E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1562449556E-04 -7.0845925805E-06
  0.0000000000E+00 -7.0845925805E-06 -2.9928543238E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  7.0845925805E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.0845925805E-06  1.0959161061E-04
  0.0000000000E+00  1.0959161061E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  7.0845925805E-06  1.0959161061E-04
  7.0845925805E-06  0.0000000000E+00  0.0000000000E+00
  1.0959161061E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.0845925805E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.0845925805E-06  1.0959161061E-04
  0.0000000000E+00  1.0959161061E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.9928543238E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9928543238E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.9352198411E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.4962981932E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4962981932E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8069658375E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.2937469734E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0382039985E-04  4.2507555483E-05
  0.0000000000E+00  4.2507555483E-05 -1.7957125943E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.9496328677E-04  4.2507555483E-05
  4.9496328677E-04  0.0000000000E+00  0.0000000000E+00
  4.2507555483E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.2507555483E-05  6.5754966366E-04
  4.2507555483E-05  0.0000000000E+00  0.0000000000E+00
  6.5754966366E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.9496328677E-04  4.2507555483E-05
  4.9496328677E-04  0.0000000000E+00  0.0000000000E+00
  4.2507555483E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  3.0382039985E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2937469734E-03 -4.2507555483E-05
  0.0000000000E+00 -4.2507555483E-05 -1.7957125943E-04

 Crystal Tensor_qq(ke,je,3,2)
  4.2507555483E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2507555483E-05  6.5754966366E-04
  0.0000000000E+00  6.5754966366E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.2507555483E-05  6.5754966366E-04
  4.2507555483E-05  0.0000000000E+00  0.0000000000E+00
  6.5754966366E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.2507555483E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2507555483E-05  6.5754966366E-04
  0.0000000000E+00  6.5754966366E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.7957125943E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7957125943E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9611319047E-04

 Convertion factor = 110.14074 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -12.800  3.54579E-02  3.54579E-02  3.56205E-02  2.08392E-01  3.81354E-01  2.08392E-01  1.50785E-01
   dip-dip  3.49630E-02  3.49630E-02  3.49630E-02  2.07830E-01  3.80697E-01  2.07830E-01  1.50208E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.94963E-04  4.94963E-04  6.57550E-04  5.62251E-04  6.57550E-04  5.62251E-04  5.77941E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  3.89636E-03  2.90311E-18 -1.26387E-02 -9.41687E-18
   dip-dip  2.14874E-15  0.00000E+00  1.76302E-15  0.00000E+00
   dip-qua  3.89636E-03  2.90311E-18 -1.26387E-02 -9.41687E-18
   qua-qua  1.72700E-18  0.00000E+00  7.06235E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -12.70000 eV

 Vmoy = -16.36915 eV, Vmftabs = -19.89835 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.306E-05 -1.019E-05   -1.443E-02  1.127E-02   -2.704E-03  2.111E-03
  1  0    1  1     -4.080E-03 -7.928E-03    1.044E-01  2.029E-01    1.183E-02  2.300E-02
  2  0    1  1     -1.623E-02  4.459E-03    6.789E-01 -1.866E-01    1.299E-01 -3.569E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.4181662873E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.4181662873E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6993138335E-02

 Tensor_dq(1,ks,j2), prototypical atom
  6.2705932748E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.2705932748E-04 -4.1925561470E-05
  0.0000000000E+00 -4.1925561470E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -6.2705932748E-04  4.1925561470E-05
 -6.2705932748E-04  0.0000000000E+00  0.0000000000E+00
  4.1925561470E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.2315741582E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.8570167631E-05  2.1843188002E-05
  0.0000000000E+00  2.1843188002E-05 -1.4567934440E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.5086379173E-04  2.1843188002E-05
  1.5086379173E-04  0.0000000000E+00  0.0000000000E+00
  2.1843188002E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.1843188002E-05  1.7841258748E-04
  2.1843188002E-05  0.0000000000E+00  0.0000000000E+00
  1.7841258748E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.5086379173E-04  2.1843188002E-05
  1.5086379173E-04  0.0000000000E+00  0.0000000000E+00
  2.1843188002E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.8570167631E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2315741582E-04 -2.1843188002E-05
  0.0000000000E+00 -2.1843188002E-05 -1.4567934440E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.1843188002E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1843188002E-05  1.7841258748E-04
  0.0000000000E+00  1.7841258748E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.1843188002E-05  1.7841258748E-04
  2.1843188002E-05  0.0000000000E+00  0.0000000000E+00
  1.7841258748E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.1843188002E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1843188002E-05  1.7841258748E-04
  0.0000000000E+00  1.7841258748E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.4567934440E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4567934440E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.4164456894E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.6508997724E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.6508997724E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6195883001E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.3389444949E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7142100578E-04  1.3105912801E-04
  0.0000000000E+00  1.3105912801E-04 -8.7407606639E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  9.0518275035E-04  1.3105912801E-04
  9.0518275035E-04  0.0000000000E+00  0.0000000000E+00
  1.3105912801E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.3105912801E-04  1.0704755249E-03
  1.3105912801E-04  0.0000000000E+00  0.0000000000E+00
  1.0704755249E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  9.0518275035E-04  1.3105912801E-04
  9.0518275035E-04  0.0000000000E+00  0.0000000000E+00
  1.3105912801E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.7142100578E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3389444949E-03 -1.3105912801E-04
  0.0000000000E+00 -1.3105912801E-04 -8.7407606639E-05

 Crystal Tensor_qq(ke,je,3,2)
  1.3105912801E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3105912801E-04  1.0704755249E-03
  0.0000000000E+00  1.0704755249E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.3105912801E-04  1.0704755249E-03
  1.3105912801E-04  0.0000000000E+00  0.0000000000E+00
  1.0704755249E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.3105912801E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3105912801E-04  1.0704755249E-03
  0.0000000000E+00  1.0704755249E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -8.7407606639E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.7407606639E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.4498674137E-04

 Convertion factor = 110.14217 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -12.700  5.74142E-02  5.74142E-02  5.75795E-02  1.09724E-01  1.63029E-01  1.09724E-01  9.25194E-02
   dip-dip  5.65090E-02  5.65090E-02  5.65090E-02  1.09234E-01  1.61959E-01  1.09234E-01  9.16589E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  9.05183E-04  9.05183E-04  1.07048E-03  4.89687E-04  1.07048E-03  4.89687E-04  8.60501E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  4.63736E-03  3.45521E-18 -2.18002E-02 -1.62429E-17
   dip-dip  6.55380E-16  0.00000E+00  5.37733E-16  0.00000E+00
   dip-qua  4.63736E-03  3.45521E-18 -2.18002E-02 -1.62429E-17
   qua-qua  4.08012E-18  0.00000E+00  1.83870E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -12.60000 eV

 Vmoy = -16.37088 eV, Vmftabs = -19.90078 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.557E-05 -1.065E-05   -1.721E-02  1.177E-02   -3.224E-03  2.205E-03
  1  0    1  1     -3.511E-03 -1.187E-02    8.987E-02  3.038E-01    1.018E-02  3.443E-02
  2  0    1  1     -2.904E-02 -1.296E-03    1.215E+00  5.420E-02    2.324E-01  1.037E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.7944800408E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7944800408E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4996049758E-02

 Tensor_dq(1,ks,j2), prototypical atom
  1.5190621315E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5190621315E-03 -3.1059593277E-05
  0.0000000000E+00 -3.1059593277E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.5190621315E-03  3.1059593277E-05
 -1.5190621315E-03  0.0000000000E+00  0.0000000000E+00
  3.1059593277E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  3.9686747636E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0388284519E-04  7.3881662128E-05
  0.0000000000E+00  7.3881662128E-05 -9.1379161318E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.5037516078E-04  7.3881662128E-05
  3.5037516078E-04  0.0000000000E+00  0.0000000000E+00
  7.3881662128E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  7.3881662128E-05  3.4611086767E-04
  7.3881662128E-05  0.0000000000E+00  0.0000000000E+00
  3.4611086767E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.5037516078E-04  7.3881662128E-05
  3.5037516078E-04  0.0000000000E+00  0.0000000000E+00
  7.3881662128E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.0388284519E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9686747636E-04 -7.3881662128E-05
  0.0000000000E+00 -7.3881662128E-05 -9.1379161318E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  7.3881662128E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3881662128E-05  3.4611086767E-04
  0.0000000000E+00  3.4611086767E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  7.3881662128E-05  3.4611086767E-04
  7.3881662128E-05  0.0000000000E+00  0.0000000000E+00
  3.4611086767E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.3881662128E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3881662128E-05  3.4611086767E-04
  0.0000000000E+00  3.4611086767E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -9.1379161318E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.1379161318E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9644404698E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0766880245E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0766880245E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.9976298549E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.3812048581E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8232970712E-03  4.4328997277E-04
  0.0000000000E+00  4.4328997277E-04 -5.4827496791E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.1022509647E-03  4.4328997277E-04
  2.1022509647E-03  0.0000000000E+00  0.0000000000E+00
  4.4328997277E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.4328997277E-04  2.0766652060E-03
  4.4328997277E-04  0.0000000000E+00  0.0000000000E+00
  2.0766652060E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.1022509647E-03  4.4328997277E-04
  2.1022509647E-03  0.0000000000E+00  0.0000000000E+00
  4.4328997277E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.8232970712E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3812048581E-03 -4.4328997277E-04
  0.0000000000E+00 -4.4328997277E-04 -5.4827496791E-05

 Crystal Tensor_qq(ke,je,3,2)
  4.4328997277E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4328997277E-04  2.0766652060E-03
  0.0000000000E+00  2.0766652060E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.4328997277E-04  2.0766652060E-03
  4.4328997277E-04  0.0000000000E+00  0.0000000000E+00
  2.0766652060E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.4328997277E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4328997277E-04  2.0766652060E-03
  0.0000000000E+00  2.0766652060E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.4827496791E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.4827496791E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5786642819E-04

 Convertion factor = 110.14360 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -12.600  1.09771E-01  1.09771E-01  1.09745E-01  9.95347E-02  9.20530E-02  9.95347E-02  1.03493E-01
   dip-dip  1.07669E-01  1.07669E-01  1.07669E-01  9.88226E-02  8.99763E-02  9.88226E-02  1.01771E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.10225E-03  2.10225E-03  2.07667E-03  7.12182E-04  2.07667E-03  7.12182E-04  1.72133E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  4.13673E-04  3.08220E-19 -4.24149E-02 -3.16026E-17
   dip-dip -1.09962E-16  0.00000E+00 -9.02226E-17  0.00000E+00
   dip-qua  4.13673E-04  3.08220E-19 -4.24149E-02 -3.16026E-17
   qua-qua  1.15282E-17  0.00000E+00  5.54225E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -12.50000 eV

 Vmoy = -16.37249 eV, Vmftabs = -19.90318 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.956E-05 -9.175E-06   -2.162E-02  1.014E-02   -4.051E-03  1.900E-03
  1  0    1  1      3.384E-03 -1.714E-02   -8.660E-02  4.387E-01   -9.812E-03  4.971E-02
  2  0    1  1     -3.409E-02 -3.871E-02    1.426E+00  1.619E+00    2.728E-01  3.098E-01

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.6109363128E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6109363128E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0669805544E-02

 Tensor_dq(1,ks,j2), prototypical atom
  3.0005658883E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0005658883E-03 -5.7413299556E-04
  0.0000000000E+00 -5.7413299556E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.0005658883E-03  5.7413299556E-04
 -3.0005658883E-03  0.0000000000E+00  0.0000000000E+00
  5.7413299556E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  6.9561030156E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.2763374023E-04  1.1405145876E-04
  0.0000000000E+00  1.1405145876E-04 -6.6995502796E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.6162202089E-04  1.1405145876E-04
  6.6162202089E-04  0.0000000000E+00  0.0000000000E+00
  1.1405145876E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.1405145876E-04  7.8312005378E-04
  1.1405145876E-04  0.0000000000E+00  0.0000000000E+00
  7.8312005378E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.6162202089E-04  1.1405145876E-04
  6.6162202089E-04  0.0000000000E+00  0.0000000000E+00
  1.1405145876E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.2763374023E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.9561030156E-04 -1.1405145876E-04
  0.0000000000E+00 -1.1405145876E-04 -6.6995502796E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  1.1405145876E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1405145876E-04  7.8312005378E-04
  0.0000000000E+00  7.8312005378E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.1405145876E-04  7.8312005378E-04
  1.1405145876E-04  0.0000000000E+00  0.0000000000E+00
  7.8312005378E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.1405145876E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1405145876E-04  7.8312005378E-04
  0.0000000000E+00  7.8312005378E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.6995502796E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.6995502796E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.0803611065E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.1665617877E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1665617877E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.4018833267E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.1736618094E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7658024414E-03  6.8430875256E-04
  0.0000000000E+00  6.8430875256E-04 -4.0197301677E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.9697321254E-03  6.8430875256E-04
  3.9697321254E-03  0.0000000000E+00  0.0000000000E+00
  6.8430875256E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  6.8430875256E-04  4.6987203227E-03
  6.8430875256E-04  0.0000000000E+00  0.0000000000E+00
  4.6987203227E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.9697321254E-03  6.8430875256E-04
  3.9697321254E-03  0.0000000000E+00  0.0000000000E+00
  6.8430875256E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.7658024414E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1736618094E-03 -6.8430875256E-04
  0.0000000000E+00 -6.8430875256E-04 -4.0197301677E-05

 Crystal Tensor_qq(ke,je,3,2)
  6.8430875256E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.8430875256E-04  4.6987203227E-03
  0.0000000000E+00  4.6987203227E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  6.8430875256E-04  4.6987203227E-03
  6.8430875256E-04  0.0000000000E+00  0.0000000000E+00
  4.6987203227E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  6.8430875256E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.8430875256E-04  4.6987203227E-03
  0.0000000000E+00  4.6987203227E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.0197301677E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0197301677E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0482166639E-04

 Convertion factor = 110.14503 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -12.500  2.20626E-01  2.20626E-01  2.21355E-01  1.41477E-01  6.87176E-02  1.41477E-01  1.69284E-01
   dip-dip  2.16656E-01  2.16656E-01  2.16656E-01  1.40338E-01  6.40188E-02  1.40338E-01  1.65777E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.96973E-03  3.96973E-03  4.69872E-03  1.13972E-03  4.69872E-03  1.13972E-03  3.50666E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  7.95150E-02  5.92452E-17 -1.59400E-01 -1.18766E-16
   dip-dip -9.48679E-16  0.00000E+00 -7.78382E-16  0.00000E+00
   dip-qua  7.95150E-02  5.92452E-17 -1.59400E-01 -1.18766E-16
   qua-qua  2.08477E-17  0.00000E+00  9.49837E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -12.40000 eV

 Vmoy = -16.37404 eV, Vmftabs = -19.90554 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      2.064E-05 -4.438E-06   -2.282E-02  4.907E-03   -4.275E-03  9.194E-04
  1  0    1  1      1.174E-02 -9.817E-03   -3.004E-01  2.512E-01   -3.404E-02  2.847E-02
  2  0    1  1      1.649E-02 -3.791E-02   -6.897E-01  1.586E+00   -1.319E-01  3.034E-01

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.2106384536E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2106384536E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.9325712615E-03

 Tensor_dq(1,ks,j2), prototypical atom
  2.0734452039E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0734452039E-03 -2.6807981554E-03
  0.0000000000E+00 -2.6807981554E-03  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -2.0734452039E-03  2.6807981554E-03
 -2.0734452039E-03  0.0000000000E+00  0.0000000000E+00
  2.6807981554E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  4.1373982072E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5815678933E-04 -1.6790128008E-04
  0.0000000000E+00 -1.6790128008E-04 -5.1072529952E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.8594830502E-04 -1.6790128008E-04
  3.8594830502E-04  0.0000000000E+00  0.0000000000E+00
 -1.6790128008E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.6790128008E-04  1.4340437651E-03
 -1.6790128008E-04  0.0000000000E+00  0.0000000000E+00
  1.4340437651E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.8594830502E-04 -1.6790128008E-04
  3.8594830502E-04  0.0000000000E+00  0.0000000000E+00
 -1.6790128008E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.5815678933E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1373982072E-04  1.6790128008E-04
  0.0000000000E+00  1.6790128008E-04 -5.1072529952E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.6790128008E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6790128008E-04  1.4340437651E-03
  0.0000000000E+00  1.4340437651E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.6790128008E-04  1.4340437651E-03
 -1.6790128008E-04  0.0000000000E+00  0.0000000000E+00
  1.4340437651E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.6790128008E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6790128008E-04  1.4340437651E-03
  0.0000000000E+00  1.4340437651E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.1072529952E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1072529952E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.5522279770E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.7263830722E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7263830722E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9595427569E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.4824389243E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1489407360E-03 -1.0074076805E-03
  0.0000000000E+00 -1.0074076805E-03 -3.0643517971E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.3156898301E-03 -1.0074076805E-03
  2.3156898301E-03  0.0000000000E+00  0.0000000000E+00
 -1.0074076805E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.0074076805E-03  8.6042625905E-03
 -1.0074076805E-03  0.0000000000E+00  0.0000000000E+00
  8.6042625905E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.3156898301E-03 -1.0074076805E-03
  2.3156898301E-03  0.0000000000E+00  0.0000000000E+00
 -1.0074076805E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.1489407360E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4824389243E-03  1.0074076805E-03
  0.0000000000E+00  1.0074076805E-03 -3.0643517971E-05

 Crystal Tensor_qq(ke,je,3,2)
 -1.0074076805E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0074076805E-03  8.6042625905E-03
  0.0000000000E+00  8.6042625905E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.0074076805E-03  8.6042625905E-03
 -1.0074076805E-03  0.0000000000E+00  0.0000000000E+00
  8.6042625905E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.0074076805E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0074076805E-03  8.6042625905E-03
  0.0000000000E+00  8.6042625905E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.0643517971E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0643517971E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7313367862E-04

 Convertion factor = 110.14646 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -12.400  3.74954E-01  3.74954E-01  3.81243E-01  2.16821E-01  6.81997E-02  2.16821E-01  2.72692E-01
   dip-dip  3.72638E-01  3.72638E-01  3.72638E-01  2.16117E-01  5.95954E-02  2.16117E-01  2.68291E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.31569E-03  2.31569E-03  8.60426E-03  7.04215E-04  8.60426E-03  7.04215E-04  4.40139E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  4.05492E-01  3.02125E-16 -4.46976E-01 -3.33034E-16
   dip-dip -1.94566E-15  0.00000E+00 -1.59640E-15  0.00000E+00
   dip-qua  4.05492E-01  3.02125E-16 -4.46976E-01 -3.33034E-16
   qua-qua -1.53625E-18  0.00000E+00 -5.01448E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -12.30000 eV

 Vmoy = -16.37616 eV, Vmftabs = -19.90787 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.903E-05 -2.045E-06   -2.103E-02  2.261E-03   -3.941E-03  4.237E-04
  1  0    1  1      9.887E-03 -3.991E-03   -2.530E-01  1.021E-01   -2.867E-02  1.157E-02
  2  0    1  1      1.816E-02 -1.349E-02   -7.596E-01  5.645E-01   -1.453E-01  1.080E-01

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.0019346026E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0019346026E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2525691028E-02

 Tensor_dq(1,ks,j2), prototypical atom
  4.6078850564E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6078850564E-04  1.4456408799E-03
  0.0000000000E+00  1.4456408799E-03  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -4.6078850564E-04 -1.4456408799E-03
 -4.6078850564E-04  0.0000000000E+00  0.0000000000E+00
 -1.4456408799E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.1058999686E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6196444190E-04 -1.3497456084E-04
  0.0000000000E+00 -1.3497456084E-04 -4.3827635940E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.8627721938E-04 -1.3497456084E-04
  1.8627721938E-04  0.0000000000E+00  0.0000000000E+00
 -1.3497456084E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.3497456084E-04  9.1117497089E-04
 -1.3497456084E-04  0.0000000000E+00  0.0000000000E+00
  9.1117497089E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.8627721938E-04 -1.3497456084E-04
  1.8627721938E-04  0.0000000000E+00  0.0000000000E+00
 -1.3497456084E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.6196444190E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1058999686E-04  1.3497456084E-04
  0.0000000000E+00  1.3497456084E-04 -4.3827635940E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.3497456084E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3497456084E-04  9.1117497089E-04
  0.0000000000E+00  9.1117497089E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.3497456084E-04  9.1117497089E-04
 -1.3497456084E-04  0.0000000000E+00  0.0000000000E+00
  9.1117497089E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.3497456084E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3497456084E-04  9.1117497089E-04
  0.0000000000E+00  9.1117497089E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.3827635940E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3827635940E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2024868657E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.0116076154E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.0116076154E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.5154146168E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.2635399812E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.7178665139E-04 -8.0984736507E-04
  0.0000000000E+00 -8.0984736507E-04 -2.6296581564E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.1176633163E-03 -8.0984736507E-04
  1.1176633163E-03  0.0000000000E+00  0.0000000000E+00
 -8.0984736507E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -8.0984736507E-04  5.4670498253E-03
 -8.0984736507E-04  0.0000000000E+00  0.0000000000E+00
  5.4670498253E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.1176633163E-03 -8.0984736507E-04
  1.1176633163E-03  0.0000000000E+00  0.0000000000E+00
 -8.0984736507E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -9.7178665139E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2635399812E-03  8.0984736507E-04
  0.0000000000E+00  8.0984736507E-04 -2.6296581564E-05

 Crystal Tensor_qq(ke,je,3,2)
 -8.0984736507E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0984736507E-04  5.4670498253E-03
  0.0000000000E+00  5.4670498253E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -8.0984736507E-04  5.4670498253E-03
 -8.0984736507E-04  0.0000000000E+00  0.0000000000E+00
  5.4670498253E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -8.0984736507E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0984736507E-04  5.4670498253E-03
  0.0000000000E+00  5.4670498253E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.6296581564E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6296581564E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5214921194E-04

 Convertion factor = 110.14789 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -12.300  6.02278E-01  6.02278E-01  6.06628E-01  3.38550E-01  8.06212E-02  3.38550E-01  4.28489E-01
   dip-dip  6.01161E-01  6.01161E-01  6.01161E-01  3.38157E-01  7.51541E-02  3.38157E-01  4.25825E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.11766E-03  1.11766E-03  5.46705E-03  3.92071E-04  5.46705E-03  3.92071E-04  2.66393E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.23192E-01 -1.66297E-16  2.01712E-01  1.50292E-16
   dip-dip -3.26935E-15  0.00000E+00 -2.68247E-15  0.00000E+00
   dip-qua -2.23192E-01 -1.66297E-16  2.01712E-01  1.50292E-16
   qua-qua -4.03238E-18  0.00000E+00 -4.89248E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -12.20000 eV

 Vmoy = -16.37811 eV, Vmftabs = -19.91017 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.780E-05 -1.138E-06   -1.967E-02  1.258E-03   -3.686E-03  2.358E-04
  1  0    1  1      7.804E-03 -2.036E-03   -1.997E-01  5.212E-02   -2.263E-02  5.907E-03
  2  0    1  1      1.293E-02 -5.856E-03   -5.410E-01  2.450E-01   -1.035E-01  4.686E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.2038044314E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2038044314E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0092108619E-02

 Tensor_dq(1,ks,j2), prototypical atom
  1.1415628365E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1415628365E-04  1.5056302632E-03
  0.0000000000E+00  1.5056302632E-03  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.1415628365E-04 -1.5056302632E-03
 -1.1415628365E-04  0.0000000000E+00  0.0000000000E+00
 -1.5056302632E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3359787432E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.9293251809E-05 -6.8293718825E-05
  0.0000000000E+00 -6.8293718825E-05 -4.3749721307E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.1144556307E-04 -6.8293718825E-05
  1.1144556307E-04  0.0000000000E+00  0.0000000000E+00
 -6.8293718825E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -6.8293718825E-05  4.4573920504E-04
 -6.8293718825E-05  0.0000000000E+00  0.0000000000E+00
  4.4573920504E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.1144556307E-04 -6.8293718825E-05
  1.1144556307E-04  0.0000000000E+00  0.0000000000E+00
 -6.8293718825E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.9293251809E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3359787432E-04  6.8293718825E-05
  0.0000000000E+00  6.8293718825E-05 -4.3749721307E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -6.8293718825E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8293718825E-05  4.4573920504E-04
  0.0000000000E+00  4.4573920504E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -6.8293718825E-05  4.4573920504E-04
 -6.8293718825E-05  0.0000000000E+00  0.0000000000E+00
  4.4573920504E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -6.8293718825E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8293718825E-05  4.4573920504E-04
  0.0000000000E+00  4.4573920504E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.3749721307E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3749721307E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9532828856E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.7222826588E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7222826588E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2055265171E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.0158724594E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.3575951085E-04 -4.0976231295E-04
  0.0000000000E+00 -4.0976231295E-04 -2.6249832784E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.6867337840E-04 -4.0976231295E-04
  6.6867337840E-04  0.0000000000E+00  0.0000000000E+00
 -4.0976231295E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.0976231295E-04  2.6744352302E-03
 -4.0976231295E-04  0.0000000000E+00  0.0000000000E+00
  2.6744352302E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.6867337840E-04 -4.0976231295E-04
  6.6867337840E-04  0.0000000000E+00  0.0000000000E+00
 -4.0976231295E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.3575951085E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0158724594E-04  4.0976231295E-04
  0.0000000000E+00  4.0976231295E-04 -2.6249832784E-05

 Crystal Tensor_qq(ke,je,3,2)
 -4.0976231295E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0976231295E-04  2.6744352302E-03
  0.0000000000E+00  2.6744352302E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.0976231295E-04  2.6744352302E-03
 -4.0976231295E-04  0.0000000000E+00  0.0000000000E+00
  2.6744352302E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.0976231295E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0976231295E-04  2.6744352302E-03
  0.0000000000E+00  2.6744352302E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.6249832784E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6249832784E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3719697314E-04

 Convertion factor = 110.14932 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -12.200  3.72897E-01  3.72897E-01  3.74903E-01  2.46663E-01  1.23227E-01  2.46663E-01  2.89702E-01
   dip-dip  3.72228E-01  3.72228E-01  3.72228E-01  2.46390E-01  1.20553E-01  2.46390E-01  2.88336E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.68673E-04  6.68673E-04  2.67444E-03  2.72821E-04  2.67444E-03  2.72821E-04  1.36542E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.31409E-01 -1.72419E-16  2.19195E-01  1.63318E-16
   dip-dip -1.56429E-15  0.00000E+00 -1.28348E-15  0.00000E+00
   dip-qua -2.31409E-01 -1.72419E-16  2.19195E-01  1.63318E-16
   qua-qua -2.79465E-18  0.00000E+00 -2.69852E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -12.10000 eV

 Vmoy = -16.38036 eV, Vmftabs = -19.91244 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.700E-05 -7.040E-07   -1.880E-02  7.782E-04   -3.522E-03  1.458E-04
  1  0    1  1      6.421E-03 -1.229E-03   -1.643E-01  3.147E-02   -1.862E-02  3.566E-03
  2  0    1  1      9.503E-03 -3.097E-03   -3.975E-01  1.296E-01   -7.604E-02  2.479E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.5443609133E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5443609133E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2620948855E-02

 Tensor_dq(1,ks,j2), prototypical atom
  1.8503041089E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8503041089E-04  4.4613229226E-04
  0.0000000000E+00  4.4613229226E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.8503041089E-04 -4.4613229226E-04
 -1.8503041089E-04  0.0000000000E+00  0.0000000000E+00
 -4.4613229226E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0924977209E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.7610172790E-05 -4.9666842777E-05
  0.0000000000E+00 -4.9666842777E-05 -4.7945890817E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.8429972439E-05 -4.9666842777E-05
  8.8429972439E-05  0.0000000000E+00  0.0000000000E+00
 -4.9666842777E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -4.9666842777E-05  2.6583468343E-04
 -4.9666842777E-05  0.0000000000E+00  0.0000000000E+00
  2.6583468343E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.8429972439E-05 -4.9666842777E-05
  8.8429972439E-05  0.0000000000E+00  0.0000000000E+00
 -4.9666842777E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.7610172790E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0924977209E-04  4.9666842777E-05
  0.0000000000E+00  4.9666842777E-05 -4.7945890817E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.9666842777E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9666842777E-05  2.6583468343E-04
  0.0000000000E+00  2.6583468343E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -4.9666842777E-05  2.6583468343E-04
 -4.9666842777E-05  0.0000000000E+00  0.0000000000E+00
  2.6583468343E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.9666842777E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9666842777E-05  2.6583468343E-04
  0.0000000000E+00  2.6583468343E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.7945890817E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7945890817E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7786091399E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.5266165480E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5266165480E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9572569313E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  6.5549863253E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0566103674E-04 -2.9800105666E-04
  0.0000000000E+00 -2.9800105666E-04 -2.8767534490E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.3057983463E-04 -2.9800105666E-04
  5.3057983463E-04  0.0000000000E+00  0.0000000000E+00
 -2.9800105666E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.9800105666E-04  1.5950081006E-03
 -2.9800105666E-04  0.0000000000E+00  0.0000000000E+00
  1.5950081006E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.3057983463E-04 -2.9800105666E-04
  5.3057983463E-04  0.0000000000E+00  0.0000000000E+00
 -2.9800105666E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.0566103674E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.5549863253E-04  2.9800105666E-04
  0.0000000000E+00  2.9800105666E-04 -2.8767534490E-05

 Crystal Tensor_qq(ke,je,3,2)
 -2.9800105666E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9800105666E-04  1.5950081006E-03
  0.0000000000E+00  1.5950081006E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.9800105666E-04  1.5950081006E-03
 -2.9800105666E-04  0.0000000000E+00  0.0000000000E+00
  1.5950081006E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.9800105666E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9800105666E-04  1.5950081006E-03
  0.0000000000E+00  1.5950081006E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.8767534490E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8767534490E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2671654839E-04

 Convertion factor = 110.15076 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -12.100  1.53192E-01  1.53192E-01  1.54257E-01  1.74429E-01  1.97321E-01  1.74429E-01  1.67894E-01
   dip-dip  1.52662E-01  1.52662E-01  1.52662E-01  1.74194E-01  1.95726E-01  1.74194E-01  1.67016E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  5.30580E-04  5.30580E-04  1.59501E-03  2.34938E-04  1.59501E-03  2.34938E-04  8.77513E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.90028E-02 -5.14128E-17  6.11841E-02  4.55872E-17
   dip-dip  2.67667E-16  0.00000E+00  2.19619E-16  0.00000E+00
   dip-qua -6.90028E-02 -5.14128E-17  6.11841E-02  4.55872E-17
   qua-qua -3.56320E-18  0.00000E+00 -2.41765E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -12.00000 eV

 Vmoy = -16.38263 eV, Vmftabs = -19.91468 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.649E-05 -4.567E-07   -1.823E-02  5.048E-04   -3.415E-03  9.462E-05
  1  0    1  1      5.482E-03 -8.261E-04   -1.403E-01  2.114E-02   -1.590E-02  2.396E-03
  2  0    1  1      7.351E-03 -1.870E-03   -3.075E-01  7.822E-02   -5.882E-02  1.496E-02

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3172353969E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3172353969E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7031312906E-02

 Tensor_dq(1,ks,j2), prototypical atom
  2.3220411871E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3220411871E-04  6.3227791928E-05
  0.0000000000E+00  6.3227791928E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -2.3220411871E-04 -6.3227791928E-05
 -2.3220411871E-04  0.0000000000E+00  0.0000000000E+00
 -6.3227791928E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.1212735328E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.2043410747E-05 -6.5866167412E-05
  0.0000000000E+00 -6.5866167412E-05 -5.4774926526E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  9.2085382012E-05 -6.5866167412E-05
  9.2085382012E-05  0.0000000000E+00  0.0000000000E+00
 -6.5866167412E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -6.5866167412E-05  2.4927390927E-04
 -6.5866167412E-05  0.0000000000E+00  0.0000000000E+00
  2.4927390927E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  9.2085382012E-05 -6.5866167412E-05
  9.2085382012E-05  0.0000000000E+00  0.0000000000E+00
 -6.5866167412E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.2043410747E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1212735328E-04  6.5866167412E-05
  0.0000000000E+00  6.5866167412E-05 -5.4774926526E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -6.5866167412E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.5866167412E-05  2.4927390927E-04
  0.0000000000E+00  2.4927390927E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -6.5866167412E-05  2.4927390927E-04
 -6.5866167412E-05  0.0000000000E+00  0.0000000000E+00
  2.4927390927E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -6.5866167412E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.5866167412E-05  2.4927390927E-04
  0.0000000000E+00  2.4927390927E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.4774926526E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.4774926526E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6627181299E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  7.9034123817E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9034123817E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2218787744E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  6.7276411967E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3226046448E-04 -3.9519700447E-04
  0.0000000000E+00 -3.9519700447E-04 -3.2864955916E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.5251229207E-04 -3.9519700447E-04
  5.5251229207E-04  0.0000000000E+00  0.0000000000E+00
 -3.9519700447E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.9519700447E-04  1.4956434556E-03
 -3.9519700447E-04  0.0000000000E+00  0.0000000000E+00
  1.4956434556E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.5251229207E-04 -3.9519700447E-04
  5.5251229207E-04  0.0000000000E+00  0.0000000000E+00
 -3.9519700447E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.3226046448E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.7276411967E-04  3.9519700447E-04
  0.0000000000E+00  3.9519700447E-04 -3.2864955916E-05

 Crystal Tensor_qq(ke,je,3,2)
 -3.9519700447E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9519700447E-04  1.4956434556E-03
  0.0000000000E+00  1.4956434556E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.9519700447E-04  1.4956434556E-03
 -3.9519700447E-04  0.0000000000E+00  0.0000000000E+00
  1.4956434556E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.9519700447E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9519700447E-04  1.4956434556E-03
  0.0000000000E+00  1.4956434556E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.2864955916E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2864955916E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1976308779E-04

 Convertion factor = 110.15219 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -12.000  7.95866E-02  7.95866E-02  8.05298E-02  1.50851E-01  2.23684E-01  1.50851E-01  1.27598E-01
   dip-dip  7.90341E-02  7.90341E-02  7.90341E-02  1.50611E-01  2.22188E-01  1.50611E-01  1.26752E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  5.52512E-04  5.52512E-04  1.49564E-03  2.39564E-04  1.49564E-03  2.39564E-04  8.46312E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.03698E-02 -7.72636E-18  3.54070E-03  2.63811E-18
   dip-dip  8.89794E-16  0.00000E+00  7.30067E-16  0.00000E+00
   dip-qua -1.03698E-02 -7.72636E-18  3.54070E-03  2.63811E-18
   qua-qua -6.55286E-18  0.00000E+00 -3.75404E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -11.90000 eV

 Vmoy = -16.38486 eV, Vmftabs = -19.91690 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.616E-05 -2.978E-07   -1.786E-02  3.292E-04   -3.347E-03  6.171E-05
  1  0    1  1      4.808E-03 -5.960E-04   -1.230E-01  1.525E-02   -1.394E-02  1.729E-03
  2  0    1  1      5.926E-03 -1.234E-03   -2.479E-01  5.164E-02   -4.742E-02  9.879E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.5233698326E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5233698326E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8267764835E-02

 Tensor_dq(1,ks,j2), prototypical atom
  3.4182254509E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4182254509E-04 -2.4262829961E-04
  0.0000000000E+00 -2.4262829961E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.4182254509E-04  2.4262829961E-04
 -3.4182254509E-04  0.0000000000E+00  0.0000000000E+00
  2.4262829961E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4531357692E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0601170448E-04 -1.3360122753E-04
  0.0000000000E+00 -1.3360122753E-04 -6.3359454248E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.2566264070E-04 -1.3360122753E-04
  1.2566264070E-04  0.0000000000E+00  0.0000000000E+00
 -1.3360122753E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.3360122753E-04  3.8726899774E-04
 -1.3360122753E-04  0.0000000000E+00  0.0000000000E+00
  3.8726899774E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.2566264070E-04 -1.3360122753E-04
  1.2566264070E-04  0.0000000000E+00  0.0000000000E+00
 -1.3360122753E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.0601170448E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4531357692E-04  1.3360122753E-04
  0.0000000000E+00  1.3360122753E-04 -6.3359454248E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.3360122753E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3360122753E-04  3.8726899774E-04
  0.0000000000E+00  3.8726899774E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.3360122753E-04  3.8726899774E-04
 -1.3360122753E-04  0.0000000000E+00  0.0000000000E+00
  3.8726899774E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.3360122753E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3360122753E-04  3.8726899774E-04
  0.0000000000E+00  3.8726899774E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.3359454248E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3359454248E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5950698061E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.1140218995E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1140218995E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6960658901E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.7188146150E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3607022686E-04 -8.0160736521E-04
  0.0000000000E+00 -8.0160736521E-04 -3.8015672549E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  7.5397584418E-04 -8.0160736521E-04
  7.5397584418E-04  0.0000000000E+00  0.0000000000E+00
 -8.0160736521E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -8.0160736521E-04  2.3236139864E-03
 -8.0160736521E-04  0.0000000000E+00  0.0000000000E+00
  2.3236139864E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  7.5397584418E-04 -8.0160736521E-04
  7.5397584418E-04  0.0000000000E+00  0.0000000000E+00
 -8.0160736521E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.3607022686E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7188146150E-04  8.0160736521E-04
  0.0000000000E+00  8.0160736521E-04 -3.8015672549E-05

 Crystal Tensor_qq(ke,je,3,2)
 -8.0160736521E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0160736521E-04  2.3236139864E-03
  0.0000000000E+00  2.3236139864E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -8.0160736521E-04  2.3236139864E-03
 -8.0160736521E-04  0.0000000000E+00  0.0000000000E+00
  2.3236139864E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -8.0160736521E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0160736521E-04  2.3236139864E-03
  0.0000000000E+00  2.3236139864E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.8015672549E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8015672549E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1570418837E-04

 Convertion factor = 110.15362 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -11.900  5.18942E-02  5.18942E-02  5.34638E-02  1.10664E-01  1.71930E-01  1.10664E-01  9.18874E-02
   dip-dip  5.11402E-02  5.11402E-02  5.11402E-02  1.10373E-01  1.69607E-01  1.10373E-01  9.06290E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  7.53976E-04  7.53976E-04  2.32361E-03  2.90904E-04  2.32361E-03  2.90904E-04  1.25835E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  3.62600E-02  2.70167E-17 -4.42967E-02 -3.30047E-17
   dip-dip  7.36355E-16  0.00000E+00  6.04172E-16  0.00000E+00
   dip-qua  3.62600E-02  2.70167E-17 -4.42967E-02 -3.30047E-17
   qua-qua -1.46423E-17  0.00000E+00 -8.02529E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -11.80000 eV

 Vmoy = -16.38716 eV, Vmftabs = -19.91908 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.595E-05 -1.863E-07   -1.764E-02  2.059E-04   -3.304E-03  3.861E-05
  1  0    1  1      4.301E-03 -4.520E-04   -1.101E-01  1.157E-02   -1.247E-02  1.311E-03
  2  0    1  1      4.928E-03 -8.679E-04   -2.061E-01  3.631E-02   -3.943E-02  6.946E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.7121806922E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.7121806922E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9326481606E-02

 Tensor_dq(1,ks,j2), prototypical atom
  5.3402701160E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.3402701160E-04 -6.3592779518E-04
  0.0000000000E+00 -6.3592779518E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -5.3402701160E-04  6.3592779518E-04
 -5.3402701160E-04  0.0000000000E+00  0.0000000000E+00
  6.3592779518E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.0725365931E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6817084695E-04 -2.5598931296E-04
  0.0000000000E+00 -2.5598931296E-04 -7.3247057398E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.8771225313E-04 -2.5598931296E-04
  1.8771225313E-04  0.0000000000E+00  0.0000000000E+00
 -2.5598931296E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -2.5598931296E-04  6.9626741974E-04
 -2.5598931296E-04  0.0000000000E+00  0.0000000000E+00
  6.9626741974E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.8771225313E-04 -2.5598931296E-04
  1.8771225313E-04  0.0000000000E+00  0.0000000000E+00
 -2.5598931296E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.6817084695E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0725365931E-04  2.5598931296E-04
  0.0000000000E+00  2.5598931296E-04 -7.3247057398E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -2.5598931296E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5598931296E-04  6.9626741974E-04
  0.0000000000E+00  6.9626741974E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -2.5598931296E-04  6.9626741974E-04
 -2.5598931296E-04  0.0000000000E+00  0.0000000000E+00
  6.9626741974E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -2.5598931296E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5598931296E-04  6.9626741974E-04
  0.0000000000E+00  6.9626741974E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -7.3247057398E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3247057398E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5684816198E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.0273084153E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0273084153E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1595888963E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.2435219559E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0090250817E-03 -1.5359358778E-03
  0.0000000000E+00 -1.5359358778E-03 -4.3948234439E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.1262735188E-03 -1.5359358778E-03
  1.1262735188E-03  0.0000000000E+00  0.0000000000E+00
 -1.5359358778E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.5359358778E-03  4.1776045185E-03
 -1.5359358778E-03  0.0000000000E+00  0.0000000000E+00
  4.1776045185E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.1262735188E-03 -1.5359358778E-03
  1.1262735188E-03  0.0000000000E+00  0.0000000000E+00
 -1.5359358778E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.0090250817E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2435219559E-03  1.5359358778E-03
  0.0000000000E+00  1.5359358778E-03 -4.3948234439E-05

 Crystal Tensor_qq(ke,je,3,2)
 -1.5359358778E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5359358778E-03  4.1776045185E-03
  0.0000000000E+00  4.1776045185E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.5359358778E-03  4.1776045185E-03
 -1.5359358778E-03  0.0000000000E+00  0.0000000000E+00
  4.1776045185E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.5359358778E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5359358778E-03  4.1776045185E-03
  0.0000000000E+00  4.1776045185E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.3948234439E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3948234439E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1410889719E-04

 Convertion factor = 110.15505 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -11.800  4.13994E-02  4.13994E-02  4.44507E-02  7.85024E-02  1.20136E-01  7.85024E-02  6.76512E-02
   dip-dip  4.02731E-02  4.02731E-02  4.02731E-02  7.81160E-02  1.15959E-01  7.81160E-02  6.55017E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.12627E-03  1.12627E-03  4.17760E-03  3.86382E-04  4.17760E-03  3.86382E-04  2.14950E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  9.60758E-02  7.15843E-17 -1.07089E-01 -7.97898E-17
   dip-dip  4.70449E-16  0.00000E+00  3.85999E-16  0.00000E+00
   dip-qua  9.60758E-02  7.15843E-17 -1.07089E-01 -7.97898E-17
   qua-qua -2.79003E-17  0.00000E+00 -1.53383E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -11.70000 eV

 Vmoy = -16.38947 eV, Vmftabs = -19.92124 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.584E-05 -1.026E-07   -1.752E-02  1.133E-04   -3.281E-03  2.127E-05
  1  0    1  1      3.906E-03 -3.556E-04   -9.996E-02  9.102E-03   -1.133E-02  1.032E-03
  2  0    1  1      4.198E-03 -6.396E-04   -1.756E-01  2.676E-02   -3.359E-02  5.119E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.4659381292E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4659381292E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3647008003E-02

 Tensor_dq(1,ks,j2), prototypical atom
  5.2177877055E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.2177877055E-04 -3.5776900967E-04
  0.0000000000E+00 -3.5776900967E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -5.2177877055E-04  3.5776900967E-04
 -5.2177877055E-04  0.0000000000E+00  0.0000000000E+00
  3.5776900967E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.9289899896E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5360776307E-04 -1.5117754369E-04
  0.0000000000E+00 -1.5117754369E-04 -8.4226242794E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.7325338101E-04 -1.5117754369E-04
  1.7325338101E-04  0.0000000000E+00  0.0000000000E+00
 -1.5117754369E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.5117754369E-04  4.6503132960E-04
 -1.5117754369E-04  0.0000000000E+00  0.0000000000E+00
  4.6503132960E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.7325338101E-04 -1.5117754369E-04
  1.7325338101E-04  0.0000000000E+00  0.0000000000E+00
 -1.5117754369E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.5360776307E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9289899896E-04  1.5117754369E-04
  0.0000000000E+00  1.5117754369E-04 -8.4226242794E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.5117754369E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5117754369E-04  4.6503132960E-04
  0.0000000000E+00  4.6503132960E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.5117754369E-04  4.6503132960E-04
 -1.5117754369E-04  0.0000000000E+00  0.0000000000E+00
  4.6503132960E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.5117754369E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5117754369E-04  4.6503132960E-04
  0.0000000000E+00  4.6503132960E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -8.4226242794E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.4226242794E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5781689409E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.2795628775E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2795628775E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.1882048021E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.1573939937E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.2164657840E-04 -9.0706526213E-04
  0.0000000000E+00 -9.0706526213E-04 -5.0535745676E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.0395202861E-03 -9.0706526213E-04
  1.0395202861E-03  0.0000000000E+00  0.0000000000E+00
 -9.0706526213E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -9.0706526213E-04  2.7901879776E-03
 -9.0706526213E-04  0.0000000000E+00  0.0000000000E+00
  2.7901879776E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.0395202861E-03 -9.0706526213E-04
  1.0395202861E-03  0.0000000000E+00  0.0000000000E+00
 -9.0706526213E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -9.2164657840E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1573939937E-03  9.0706526213E-04
  0.0000000000E+00  9.0706526213E-04 -5.0535745676E-05

 Crystal Tensor_qq(ke,je,3,2)
 -9.0706526213E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0706526213E-04  2.7901879776E-03
  0.0000000000E+00  2.7901879776E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -9.0706526213E-04  2.7901879776E-03
 -9.0706526213E-04  0.0000000000E+00  0.0000000000E+00
  2.7901879776E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -9.0706526213E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0706526213E-04  2.7901879776E-03
  0.0000000000E+00  2.7901879776E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.0535745676E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.0535745676E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1469013646E-04

 Convertion factor = 110.15648 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -11.700  3.38351E-02  3.38351E-02  3.55858E-02  5.77071E-02  8.46722E-02  5.77071E-02  5.07186E-02
   dip-dip  3.27956E-02  3.27956E-02  3.27956E-02  5.73388E-02  8.18820E-02  5.73388E-02  4.91578E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.03952E-03  1.03952E-03  2.79019E-03  3.68289E-04  2.79019E-03  3.68289E-04  1.56079E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  5.34180E-02  3.98008E-17 -6.57616E-02 -4.89978E-17
   dip-dip  3.05116E-16  0.00000E+00  2.50345E-16  0.00000E+00
   dip-qua  5.34180E-02  3.98008E-17 -6.57616E-02 -4.89978E-17
   qua-qua -1.66538E-17  0.00000E+00 -9.09905E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -11.60000 eV

 Vmoy = -16.39170 eV, Vmftabs = -19.92338 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.581E-05 -3.625E-08   -1.747E-02  4.000E-05   -3.274E-03  7.537E-06
  1  0    1  1      3.589E-03 -2.879E-04   -9.185E-02  7.368E-03   -1.041E-02  8.351E-04
  2  0    1  1      3.645E-03 -4.887E-04   -1.525E-01  2.045E-02   -2.917E-02  3.911E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.3254598086E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3254598086E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0181934841E-02

 Tensor_dq(1,ks,j2), prototypical atom
  6.7160182306E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.7160182306E-04 -1.0621090480E-04
  0.0000000000E+00 -1.0621090480E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -6.7160182306E-04  1.0621090480E-04
 -6.7160182306E-04  0.0000000000E+00  0.0000000000E+00
  1.0621090480E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.2649447638E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8665347206E-04 -6.2360644043E-05
  0.0000000000E+00 -6.2360644043E-05 -9.6221839772E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.0657397422E-04 -6.2360644043E-05
  2.0657397422E-04  0.0000000000E+00  0.0000000000E+00
 -6.2360644043E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -6.2360644043E-05  2.3333552735E-04
 -6.2360644043E-05  0.0000000000E+00  0.0000000000E+00
  2.3333552735E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.0657397422E-04 -6.2360644043E-05
  2.0657397422E-04  0.0000000000E+00  0.0000000000E+00
 -6.2360644043E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.8665347206E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2649447638E-04  6.2360644043E-05
  0.0000000000E+00  6.2360644043E-05 -9.6221839772E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -6.2360644043E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2360644043E-05  2.3333552735E-04
  0.0000000000E+00  2.3333552735E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -6.2360644043E-05  2.3333552735E-04
 -6.2360644043E-05  0.0000000000E+00  0.0000000000E+00
  2.3333552735E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -6.2360644043E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2360644043E-05  2.3333552735E-04
  0.0000000000E+00  2.3333552735E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -9.6221839772E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.6221839772E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6210877531E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.1952758852E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1952758852E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.1091609048E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.3589668583E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1199208324E-03 -3.7416386426E-04
  0.0000000000E+00 -3.7416386426E-04 -5.7733103863E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2394438453E-03 -3.7416386426E-04
  1.2394438453E-03  0.0000000000E+00  0.0000000000E+00
 -3.7416386426E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.7416386426E-04  1.4000131641E-03
 -3.7416386426E-04  0.0000000000E+00  0.0000000000E+00
  1.4000131641E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2394438453E-03 -3.7416386426E-04
  1.2394438453E-03  0.0000000000E+00  0.0000000000E+00
 -3.7416386426E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.1199208324E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3589668583E-03  3.7416386426E-04
  0.0000000000E+00  3.7416386426E-04 -5.7733103863E-05

 Crystal Tensor_qq(ke,je,3,2)
 -3.7416386426E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7416386426E-04  1.4000131641E-03
  0.0000000000E+00  1.4000131641E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.7416386426E-04  1.4000131641E-03
 -3.7416386426E-04  0.0000000000E+00  0.0000000000E+00
  1.4000131641E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.7416386426E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7416386426E-04  1.4000131641E-03
  0.0000000000E+00  1.4000131641E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.7733103863E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.7733103863E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1726526519E-04

 Convertion factor = 110.15791 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -11.600  3.31922E-02  3.31922E-02  3.33528E-02  4.69451E-02  6.24916E-02  4.69451E-02  4.27516E-02
   dip-dip  3.19528E-02  3.19528E-02  3.19528E-02  4.65222E-02  6.10916E-02  4.65222E-02  4.16657E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.23944E-03  1.23944E-03  1.40001E-03  4.22925E-04  1.40001E-03  4.22925E-04  1.08593E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.43775E-02  1.07125E-17 -3.23939E-02 -2.41361E-17
   dip-dip  1.81126E-16  0.00000E+00  1.48612E-16  0.00000E+00
   dip-qua  1.43775E-02  1.07125E-17 -3.23939E-02 -2.41361E-17
   qua-qua -8.99897E-18  0.00000E+00 -4.35964E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -11.50000 eV

 Vmoy = -16.39408 eV, Vmftabs = -19.92549 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.583E-05  1.898E-08   -1.750E-02 -2.105E-05   -3.279E-03 -3.902E-06
  1  0    1  1      3.328E-03 -2.382E-04   -8.517E-02  6.097E-03   -9.651E-03  6.911E-04
  2  0    1  1      3.213E-03 -3.842E-04   -1.344E-01  1.607E-02   -2.571E-02  3.075E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.6622227191E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6622227191E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.9695628681E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.1606386693E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1606386693E-03 -5.6252499864E-05
  0.0000000000E+00 -5.6252499864E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.1606386693E-03  5.6252499864E-05
 -1.1606386693E-03  0.0000000000E+00  0.0000000000E+00
  5.6252499864E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  3.6073278552E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2004932921E-04 -4.7996023837E-05
  0.0000000000E+00 -4.7996023837E-05 -1.0925487610E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.4039105736E-04 -4.7996023837E-05
  3.4039105736E-04  0.0000000000E+00  0.0000000000E+00
 -4.7996023837E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -4.7996023837E-05  1.5780325041E-04
 -4.7996023837E-05  0.0000000000E+00  0.0000000000E+00
  1.5780325041E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.4039105736E-04 -4.7996023837E-05
  3.4039105736E-04  0.0000000000E+00  0.0000000000E+00
 -4.7996023837E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.2004932921E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6073278552E-04  4.7996023837E-05
  0.0000000000E+00  4.7996023837E-05 -1.0925487610E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.7996023837E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7996023837E-05  1.5780325041E-04
  0.0000000000E+00  1.5780325041E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -4.7996023837E-05  1.5780325041E-04
 -4.7996023837E-05  0.0000000000E+00  0.0000000000E+00
  1.5780325041E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.7996023837E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7996023837E-05  1.5780325041E-04
  0.0000000000E+00  1.5780325041E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.0925487610E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0925487610E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6957071612E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.9973336315E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9973336315E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.7817377208E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.1643967131E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9202959752E-03 -2.8797614302E-04
  0.0000000000E+00 -2.8797614302E-04 -6.5552925658E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.0423463442E-03 -2.8797614302E-04
  2.0423463442E-03  0.0000000000E+00  0.0000000000E+00
 -2.8797614302E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.8797614302E-04  9.4681950245E-04
 -2.8797614302E-04  0.0000000000E+00  0.0000000000E+00
  9.4681950245E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.0423463442E-03 -2.8797614302E-04
  2.0423463442E-03  0.0000000000E+00  0.0000000000E+00
 -2.8797614302E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.9202959752E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1643967131E-03  2.8797614302E-04
  0.0000000000E+00  2.8797614302E-04 -6.5552925658E-05

 Crystal Tensor_qq(ke,je,3,2)
 -2.8797614302E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8797614302E-04  9.4681950245E-04
  0.0000000000E+00  9.4681950245E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.8797614302E-04  9.4681950245E-04
 -2.8797614302E-04  0.0000000000E+00  0.0000000000E+00
  9.4681950245E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.8797614302E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8797614302E-04  9.4681950245E-04
  0.0000000000E+00  9.4681950245E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -6.5552925658E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.5552925658E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2174242967E-04

 Convertion factor = 110.15934 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -11.500  4.20157E-02  4.20157E-02  4.09202E-02  4.45247E-02  4.87642E-02  4.45247E-02  4.38153E-02
   dip-dip  3.99733E-02  3.99733E-02  3.99733E-02  4.38954E-02  4.78174E-02  4.38954E-02  4.25880E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.04235E-03  2.04235E-03  9.46820E-04  6.29311E-04  9.46820E-04  6.29311E-04  1.22733E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  5.30791E-03  3.95482E-18 -3.72081E-02 -2.77231E-17
   dip-dip  4.87590E-17  0.00000E+00  4.00063E-17  0.00000E+00
   dip-qua  5.30791E-03  3.95482E-18 -3.72081E-02 -2.77231E-17
   qua-qua -1.15860E-17  0.00000E+00 -4.70231E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -11.40000 eV

 Vmoy = -16.39650 eV, Vmftabs = -19.92758 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.591E-05  6.684E-08   -1.759E-02 -7.397E-05   -3.296E-03 -1.381E-05
  1  0    1  1      3.110E-03 -2.007E-04   -7.959E-02  5.138E-03   -9.018E-03  5.824E-04
  2  0    1  1      2.867E-03 -3.090E-04   -1.199E-01  1.293E-02   -2.294E-02  2.473E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.0366208902E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0366208902E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.4774374990E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.8927638652E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8927638652E-03 -1.2240964232E-04
  0.0000000000E+00 -1.2240964232E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.8927638652E-03  1.2240964232E-04
 -1.8927638652E-03  0.0000000000E+00  0.0000000000E+00
  1.2240964232E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  5.6903663612E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.2724877836E-04 -7.9601229340E-05
  0.0000000000E+00 -7.9601229340E-05 -1.2340202164E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.4814270724E-04 -7.9601229340E-05
  5.4814270724E-04  0.0000000000E+00  0.0000000000E+00
 -7.9601229340E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -7.9601229340E-05  1.5112728808E-04
 -7.9601229340E-05  0.0000000000E+00  0.0000000000E+00
  1.5112728808E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.4814270724E-04 -7.9601229340E-05
  5.4814270724E-04  0.0000000000E+00  0.0000000000E+00
 -7.9601229340E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -5.2724877836E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.6903663612E-04  7.9601229340E-05
  0.0000000000E+00  7.9601229340E-05 -1.2340202164E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -7.9601229340E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9601229340E-05  1.5112728808E-04
  0.0000000000E+00  1.5112728808E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -7.9601229340E-05  1.5112728808E-04
 -7.9601229340E-05  0.0000000000E+00  0.0000000000E+00
  1.5112728808E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -7.9601229340E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9601229340E-05  1.5112728808E-04
  0.0000000000E+00  1.5112728808E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.2340202164E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2340202164E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8015268396E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.4219725341E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4219725341E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8864624994E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  3.4142198167E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1634926702E-03 -4.7760737604E-04
  0.0000000000E+00 -4.7760737604E-04 -7.4041212982E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.2888562434E-03 -4.7760737604E-04
  3.2888562434E-03  0.0000000000E+00  0.0000000000E+00
 -4.7760737604E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.7760737604E-04  9.0676372847E-04
 -4.7760737604E-04  0.0000000000E+00  0.0000000000E+00
  9.0676372847E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.2888562434E-03 -4.7760737604E-04
  3.2888562434E-03  0.0000000000E+00  0.0000000000E+00
 -4.7760737604E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.1634926702E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4142198167E-03  4.7760737604E-04
  0.0000000000E+00  4.7760737604E-04 -7.4041212982E-05

 Crystal Tensor_qq(ke,je,3,2)
 -4.7760737604E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7760737604E-04  9.0676372847E-04
  0.0000000000E+00  9.0676372847E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.7760737604E-04  9.0676372847E-04
 -4.7760737604E-04  0.0000000000E+00  0.0000000000E+00
  9.0676372847E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.7760737604E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7760737604E-04  9.0676372847E-04
  0.0000000000E+00  9.0676372847E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -7.4041212982E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.4041212982E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2809161037E-04

 Convertion factor = 110.16077 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -11.400  5.75086E-02  5.75086E-02  5.51265E-02  4.74898E-02  3.97714E-02  4.74898E-02  5.08130E-02
   dip-dip  5.42197E-02  5.42197E-02  5.42197E-02  4.65422E-02  3.88646E-02  4.65422E-02  4.91014E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.28886E-03  3.28886E-03  9.06764E-04  9.47598E-04  9.06764E-04  9.47598E-04  1.71168E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.33644E-02  9.95757E-18 -6.52036E-02 -4.85820E-17
   dip-dip -9.54494E-17  0.00000E+00 -7.83153E-17  0.00000E+00
   dip-qua  1.33644E-02  9.95757E-18 -6.52036E-02 -4.85820E-17
   qua-qua -2.14113E-17  0.00000E+00 -8.45238E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -11.30000 eV

 Vmoy = -16.39889 eV, Vmftabs = -19.92964 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.604E-05  1.098E-07   -1.773E-02 -1.215E-04   -3.322E-03 -2.271E-05
  1  0    1  1      2.925E-03 -1.717E-04   -7.484E-02  4.395E-03   -8.480E-03  4.982E-04
  2  0    1  1      2.586E-03 -2.534E-04   -1.081E-01  1.060E-02   -2.069E-02  2.028E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.1076265686E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1076265686E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.4200704269E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.9255603245E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9255603245E-03 -9.5671676050E-05
  0.0000000000E+00 -9.5671676050E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.9255603245E-03  9.5671676050E-05
 -1.9255603245E-03  0.0000000000E+00  0.0000000000E+00
  9.5671676050E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  5.8729013639E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.4415036281E-04 -1.0698872188E-04
  0.0000000000E+00 -1.0698872188E-04 -1.3878903497E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.6572024960E-04 -1.0698872188E-04
  5.6572024960E-04  0.0000000000E+00  0.0000000000E+00
 -1.0698872188E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.0698872188E-04  1.9510603445E-04
 -1.0698872188E-04  0.0000000000E+00  0.0000000000E+00
  1.9510603445E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.6572024960E-04 -1.0698872188E-04
  5.6572024960E-04  0.0000000000E+00  0.0000000000E+00
 -1.0698872188E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -5.4415036281E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8729013639E-04  1.0698872188E-04
  0.0000000000E+00  1.0698872188E-04 -1.3878903497E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.0698872188E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0698872188E-04  1.9510603445E-04
  0.0000000000E+00  1.9510603445E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.0698872188E-04  1.9510603445E-04
 -1.0698872188E-04  0.0000000000E+00  0.0000000000E+00
  1.9510603445E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.0698872188E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0698872188E-04  1.9510603445E-04
  0.0000000000E+00  1.9510603445E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.3878903497E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3878903497E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9389984037E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.4645759412E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4645759412E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2520422561E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  3.5237408184E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2649021768E-03 -6.4193233126E-04
  0.0000000000E+00 -6.4193233126E-04 -8.3273420980E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.3943214976E-03 -6.4193233126E-04
  3.3943214976E-03  0.0000000000E+00  0.0000000000E+00
 -6.4193233126E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -6.4193233126E-04  1.1706362067E-03
 -6.4193233126E-04  0.0000000000E+00  0.0000000000E+00
  1.1706362067E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.3943214976E-03 -6.4193233126E-04
  3.3943214976E-03  0.0000000000E+00  0.0000000000E+00
 -6.4193233126E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.2649021768E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5237408184E-03  6.4193233126E-04
  0.0000000000E+00  6.4193233126E-04 -8.3273420980E-05

 Crystal Tensor_qq(ke,je,3,2)
 -6.4193233126E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.4193233126E-04  1.1706362067E-03
  0.0000000000E+00  1.1706362067E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -6.4193233126E-04  1.1706362067E-03
 -6.4193233126E-04  0.0000000000E+00  0.0000000000E+00
  1.1706362067E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -6.4193233126E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.4193233126E-04  1.1706362067E-03
  0.0000000000E+00  1.1706362067E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -8.3273420980E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.3273420980E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3633990422E-04

 Convertion factor = 110.16220 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -11.300  5.80401E-02  5.80401E-02  5.58164E-02  4.45647E-02  3.36911E-02  4.45647E-02  4.91321E-02
   dip-dip  5.46458E-02  5.46458E-02  5.46458E-02  4.35831E-02  3.25204E-02  4.35831E-02  4.72706E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.39432E-03  3.39432E-03  1.17064E-03  9.81657E-04  1.17064E-03  9.81657E-04  1.86147E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  9.16640E-03  6.82972E-18 -6.20778E-02 -4.62531E-17
   dip-dip -1.37536E-16  0.00000E+00 -1.12847E-16  0.00000E+00
   dip-qua  9.16640E-03  6.82972E-18 -6.20778E-02 -4.62531E-17
   qua-qua -2.50503E-17  0.00000E+00 -1.02885E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -11.20000 eV

 Vmoy = -16.40124 eV, Vmftabs = -19.93168 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.621E-05  1.496E-07   -1.792E-02 -1.654E-04   -3.357E-03 -3.095E-05
  1  0    1  1      2.765E-03 -1.487E-04   -7.075E-02  3.807E-03   -8.017E-03  4.315E-04
  2  0    1  1      2.352E-03 -2.112E-04   -9.838E-02  8.833E-03   -1.882E-02  1.690E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.4174772359E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.4174772359E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6393295711E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.3174848105E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3174848105E-03  2.6021027450E-04
  0.0000000000E+00  2.6021027450E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.3174848105E-03 -2.6021027450E-04
 -1.3174848105E-03  0.0000000000E+00  0.0000000000E+00
 -2.6021027450E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  4.1497852537E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7023946814E-04 -7.9886626393E-05
  0.0000000000E+00 -7.9886626393E-05 -1.5558703100E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.9260899676E-04 -7.9886626393E-05
  3.9260899676E-04  0.0000000000E+00  0.0000000000E+00
 -7.9886626393E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -7.9886626393E-05  2.9591164578E-04
 -7.9886626393E-05  0.0000000000E+00  0.0000000000E+00
  2.9591164578E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.9260899676E-04 -7.9886626393E-05
  3.9260899676E-04  0.0000000000E+00  0.0000000000E+00
 -7.9886626393E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.7023946814E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1497852537E-04  7.9886626393E-05
  0.0000000000E+00  7.9886626393E-05 -1.5558703100E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -7.9886626393E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9886626393E-05  2.9591164578E-04
  0.0000000000E+00  2.9591164578E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -7.9886626393E-05  2.9591164578E-04
 -7.9886626393E-05  0.0000000000E+00  0.0000000000E+00
  2.9591164578E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -7.9886626393E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9886626393E-05  2.9591164578E-04
  0.0000000000E+00  2.9591164578E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.5558703100E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5558703100E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.1095886043E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.4504863415E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4504863415E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7835977427E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.4898711522E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2214368088E-03 -4.7931975836E-04
  0.0000000000E+00 -4.7931975836E-04 -9.3352218601E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.3556539805E-03 -4.7931975836E-04
  2.3556539805E-03  0.0000000000E+00  0.0000000000E+00
 -4.7931975836E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.7931975836E-04  1.7754698747E-03
 -4.7931975836E-04  0.0000000000E+00  0.0000000000E+00
  1.7754698747E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.3556539805E-03 -4.7931975836E-04
  2.3556539805E-03  0.0000000000E+00  0.0000000000E+00
 -4.7931975836E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.2214368088E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4898711522E-03  4.7931975836E-04
  0.0000000000E+00  4.7931975836E-04 -9.3352218601E-05

 Crystal Tensor_qq(ke,je,3,2)
 -4.7931975836E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7931975836E-04  1.7754698747E-03
  0.0000000000E+00  1.7754698747E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.7931975836E-04  1.7754698747E-03
 -4.7931975836E-04  0.0000000000E+00  0.0000000000E+00
  1.7754698747E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.7931975836E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7931975836E-04  1.7754698747E-03
  0.0000000000E+00  1.7754698747E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -9.3352218601E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.3352218601E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4657531626E-04

 Convertion factor = 110.16364 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -11.200  4.68605E-02  4.68605E-02  4.62803E-02  3.69012E-02  2.96114E-02  3.69012E-02  4.06389E-02
   dip-dip  4.45049E-02  4.45049E-02  4.45049E-02  3.61704E-02  2.78360E-02  3.61704E-02  3.89486E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.35565E-03  2.35565E-03  1.77547E-03  7.30788E-04  1.77547E-03  7.30788E-04  1.69028E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.37180E-02 -3.25735E-17  5.55866E-03  4.14165E-18
   dip-dip -1.03619E-16  0.00000E+00 -8.50182E-17  0.00000E+00
   dip-qua -4.37180E-02 -3.25735E-17  5.55866E-03  4.14165E-18
   qua-qua -1.45256E-17  0.00000E+00 -6.44763E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -11.10000 eV

 Vmoy = -16.40368 eV, Vmftabs = -19.93371 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.642E-05  1.876E-07   -1.816E-02 -2.075E-04   -3.401E-03 -3.883E-05
  1  0    1  1      2.626E-03 -1.302E-04   -6.719E-02  3.332E-03   -7.614E-03  3.777E-04
  2  0    1  1      2.155E-03 -1.784E-04   -9.015E-02  7.461E-03   -1.725E-02  1.427E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.0102078645E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.0102078645E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0427594008E-03

 Tensor_dq(1,ks,j2), prototypical atom
  9.3401398738E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.3401398738E-04  8.0957635994E-04
  0.0000000000E+00  8.0957635994E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -9.3401398738E-04 -8.0957635994E-04
 -9.3401398738E-04  0.0000000000E+00  0.0000000000E+00
 -8.0957635994E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.8812819041E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4153031960E-04 -2.4344123576E-05
  0.0000000000E+00 -2.4344123576E-05 -1.7401658367E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.6482925501E-04 -2.4344123576E-05
  2.6482925501E-04  0.0000000000E+00  0.0000000000E+00
 -2.4344123576E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -2.4344123576E-05  4.3843489672E-04
 -2.4344123576E-05  0.0000000000E+00  0.0000000000E+00
  4.3843489672E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.6482925501E-04 -2.4344123576E-05
  2.6482925501E-04  0.0000000000E+00  0.0000000000E+00
 -2.4344123576E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.4153031960E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8812819041E-04  2.4344123576E-05
  0.0000000000E+00  2.4344123576E-05 -1.7401658367E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -2.4344123576E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4344123576E-05  4.3843489672E-04
  0.0000000000E+00  4.3843489672E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -2.4344123576E-05  4.3843489672E-04
 -2.4344123576E-05  0.0000000000E+00  0.0000000000E+00
  4.3843489672E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -2.4344123576E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4344123576E-05  4.3843489672E-04
  0.0000000000E+00  4.3843489672E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.7401658367E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7401658367E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.3157816846E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.2061247187E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2061247187E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4256556405E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.7287691425E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4491819176E-03 -1.4606474145E-04
  0.0000000000E+00 -1.4606474145E-04 -1.0440995020E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.5889755300E-03 -1.4606474145E-04
  1.5889755300E-03  0.0000000000E+00  0.0000000000E+00
 -1.4606474145E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.4606474145E-04  2.6306093803E-03
 -1.4606474145E-04  0.0000000000E+00  0.0000000000E+00
  2.6306093803E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.5889755300E-03 -1.4606474145E-04
  1.5889755300E-03  0.0000000000E+00  0.0000000000E+00
 -1.4606474145E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.4491819176E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7287691425E-03  1.4606474145E-04
  0.0000000000E+00  1.4606474145E-04 -1.0440995020E-04

 Crystal Tensor_qq(ke,je,3,2)
 -1.4606474145E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4606474145E-04  2.6306093803E-03
  0.0000000000E+00  2.6306093803E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.4606474145E-04  2.6306093803E-03
 -1.4606474145E-04  0.0000000000E+00  0.0000000000E+00
  2.6306093803E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.4606474145E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4606474145E-04  2.6306093803E-03
  0.0000000000E+00  2.6306093803E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.0440995020E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0440995020E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5894690107E-04

 Convertion factor = 110.16507 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -11.100  4.36502E-02  4.36502E-02  4.46919E-02  3.37080E-02  2.68872E-02  3.37080E-02  3.78547E-02
   dip-dip  4.20612E-02  4.20612E-02  4.20612E-02  3.31589E-02  2.42566E-02  3.31589E-02  3.61264E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.58898E-03  1.58898E-03  2.63061E-03  5.49134E-04  2.63061E-03  5.49134E-04  1.72834E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.26947E-01 -9.45862E-17  9.61392E-02  7.16316E-17
   dip-dip -1.10681E-16  0.00000E+00 -9.08124E-17  0.00000E+00
   dip-qua -1.26947E-01 -9.45862E-17  9.61392E-02  7.16316E-17
   qua-qua  3.59851E-19  0.00000E+00 -5.12918E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -11.00000 eV

 Vmoy = -16.40632 eV, Vmftabs = -19.93571 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.668E-05  2.250E-07   -1.844E-02 -2.488E-04   -3.454E-03 -4.657E-05
  1  0    1  1      2.504E-03 -1.150E-04   -6.406E-02  2.943E-03   -7.259E-03  3.336E-04
  2  0    1  1      1.988E-03 -1.524E-04   -8.314E-02  6.375E-03   -1.590E-02  1.220E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.4179208891E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.4179208891E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5735909282E-03

 Tensor_dq(1,ks,j2), prototypical atom
  7.4630060549E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.4630060549E-04  9.5669396499E-04
  0.0000000000E+00  9.5669396499E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -7.4630060549E-04 -9.5669396499E-04
 -7.4630060549E-04  0.0000000000E+00  0.0000000000E+00
 -9.5669396499E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.2270123119E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7396346555E-04  1.5017245770E-05
  0.0000000000E+00  1.5017245770E-05 -1.9434645801E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.9833234837E-04  1.5017245770E-05
  1.9833234837E-04  0.0000000000E+00  0.0000000000E+00
  1.5017245770E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.5017245770E-05  4.4180905945E-04
  1.5017245770E-05  0.0000000000E+00  0.0000000000E+00
  4.4180905945E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.9833234837E-04  1.5017245770E-05
  1.9833234837E-04  0.0000000000E+00  0.0000000000E+00
  1.5017245770E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.7396346555E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2270123119E-04 -1.5017245770E-05
  0.0000000000E+00 -1.5017245770E-05 -1.9434645801E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.5017245770E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5017245770E-05  4.4180905945E-04
  0.0000000000E+00  4.4180905945E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.5017245770E-05  4.4180905945E-04
  1.5017245770E-05  0.0000000000E+00  0.0000000000E+00
  4.4180905945E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.5017245770E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5017245770E-05  4.4180905945E-04
  0.0000000000E+00  4.4180905945E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.9434645801E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9434645801E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.5610725527E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.8507525335E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8507525335E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1441545569E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.3362073871E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0437807933E-03  9.0103474621E-05
  0.0000000000E+00  9.0103474621E-05 -1.1660787480E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.1899940902E-03  9.0103474621E-05
  1.1899940902E-03  0.0000000000E+00  0.0000000000E+00
  9.0103474621E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  9.0103474621E-05  2.6508543567E-03
  9.0103474621E-05  0.0000000000E+00  0.0000000000E+00
  2.6508543567E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.1899940902E-03  9.0103474621E-05
  1.1899940902E-03  0.0000000000E+00  0.0000000000E+00
  9.0103474621E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.0437807933E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3362073871E-03 -9.0103474621E-05
  0.0000000000E+00 -9.0103474621E-05 -1.1660787480E-04

 Crystal Tensor_qq(ke,je,3,2)
  9.0103474621E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.0103474621E-05  2.6508543567E-03
  0.0000000000E+00  2.6508543567E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  9.0103474621E-05  2.6508543567E-03
  9.0103474621E-05  0.0000000000E+00  0.0000000000E+00
  2.6508543567E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  9.0103474621E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.0103474621E-05  2.6508543567E-03
  0.0000000000E+00  2.6508543567E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.1660787480E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1660787480E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7366435316E-04

 Convertion factor = 110.16650 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -11.000  3.96975E-02  3.96975E-02  4.11584E-02  3.04353E-02  2.40924E-02  3.04353E-02  3.43987E-02
   dip-dip  3.85075E-02  3.85075E-02  3.85075E-02  2.99745E-02  2.14415E-02  2.99745E-02  3.28189E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.18999E-03  1.18999E-03  2.65085E-03  4.60772E-04  2.65085E-03  4.60772E-04  1.57988E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.48994E-01 -1.11013E-16  1.22516E-01  9.12843E-17
   dip-dip -1.06090E-16  0.00000E+00 -8.70458E-17  0.00000E+00
   dip-qua -1.48994E-01 -1.11013E-16  1.22516E-01  9.12843E-17
   qua-qua  8.08263E-18  0.00000E+00  2.85716E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -10.90000 eV

 Vmoy = -16.40907 eV, Vmftabs = -19.93769 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.698E-05  2.625E-07   -1.877E-02 -2.903E-04   -3.516E-03 -5.435E-05
  1  0    1  1      2.395E-03 -1.024E-04   -6.129E-02  2.620E-03   -6.944E-03  2.970E-04
  2  0    1  1      1.843E-03 -1.315E-04   -7.710E-02  5.502E-03   -1.475E-02  1.053E-03

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.9797532165E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9797532165E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1950605475E-03

 Tensor_dq(1,ks,j2), prototypical atom
  5.7968167798E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.7968167798E-04  6.8227012230E-04
  0.0000000000E+00  6.8227012230E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -5.7968167798E-04 -6.8227012230E-04
 -5.7968167798E-04  0.0000000000E+00  0.0000000000E+00
 -6.8227012230E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.8474682450E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3355902054E-04  1.7282978576E-05
  0.0000000000E+00  1.7282978576E-05 -2.1689692900E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.5915292252E-04  1.7282978576E-05
  1.5915292252E-04  0.0000000000E+00  0.0000000000E+00
  1.7282978576E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.7282978576E-05  3.2349009167E-04
  1.7282978576E-05  0.0000000000E+00  0.0000000000E+00
  3.2349009167E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.5915292252E-04  1.7282978576E-05
  1.5915292252E-04  0.0000000000E+00  0.0000000000E+00
  1.7282978576E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.3355902054E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8474682450E-04 -1.7282978576E-05
  0.0000000000E+00 -1.7282978576E-05 -2.1689692900E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.7282978576E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7282978576E-05  3.2349009167E-04
  0.0000000000E+00  3.2349009167E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.7282978576E-05  3.2349009167E-04
  1.7282978576E-05  0.0000000000E+00  0.0000000000E+00
  3.2349009167E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.7282978576E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7282978576E-05  3.2349009167E-04
  0.0000000000E+00  3.2349009167E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.1689692900E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1689692900E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.8499993732E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.9878519299E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9878519299E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9170363285E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.1084809470E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.0135412324E-04  1.0369787146E-04
  0.0000000000E+00  1.0369787146E-04 -1.3013815740E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  9.5491753512E-04  1.0369787146E-04
  9.5491753512E-04  0.0000000000E+00  0.0000000000E+00
  1.0369787146E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.0369787146E-04  1.9409405500E-03
  1.0369787146E-04  0.0000000000E+00  0.0000000000E+00
  1.9409405500E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  9.5491753512E-04  1.0369787146E-04
  9.5491753512E-04  0.0000000000E+00  0.0000000000E+00
  1.0369787146E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -8.0135412324E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1084809470E-03 -1.0369787146E-04
  0.0000000000E+00 -1.0369787146E-04 -1.3013815740E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.0369787146E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0369787146E-04  1.9409405500E-03
  0.0000000000E+00  1.9409405500E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.0369787146E-04  1.9409405500E-03
  1.0369787146E-04  0.0000000000E+00  0.0000000000E+00
  1.9409405500E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.0369787146E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0369787146E-04  1.9409405500E-03
  0.0000000000E+00  1.9409405500E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.3013815740E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3013815740E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9099996239E-04

 Convertion factor = 110.16793 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -10.900  3.08334E-02  3.08334E-02  3.18195E-02  2.49394E-02  2.11113E-02  2.49394E-02  2.75145E-02
   dip-dip  2.98785E-02  2.98785E-02  2.98785E-02  2.45244E-02  1.91704E-02  2.45244E-02  2.63091E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  9.54918E-04  9.54918E-04  1.94094E-03  4.14939E-04  1.94094E-03  4.14939E-04  1.20533E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.06393E-01 -7.92715E-17  8.61916E-02  6.42198E-17
   dip-dip -6.65677E-17  0.00000E+00 -5.46181E-17  0.00000E+00
   dip-qua -1.06393E-01 -7.92715E-17  8.61916E-02  6.42198E-17
   qua-qua  6.57216E-18  0.00000E+00  2.46071E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -10.80000 eV

 Vmoy = -16.41181 eV, Vmftabs = -19.93965 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.732E-05  3.009E-07   -1.915E-02 -3.327E-04   -3.587E-03 -6.229E-05
  1  0    1  1      2.298E-03 -9.177E-05   -5.881E-02  2.349E-03   -6.663E-03  2.663E-04
  2  0    1  1      1.718E-03 -1.146E-04   -7.185E-02  4.792E-03   -1.375E-02  9.169E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.8226898217E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8226898217E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8837027725E-03

 Tensor_dq(1,ks,j2), prototypical atom
  4.5078559586E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.5078559586E-04  4.4357715137E-04
  0.0000000000E+00  4.4357715137E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -4.5078559586E-04 -4.4357715137E-04
 -4.5078559586E-04  0.0000000000E+00  0.0000000000E+00
 -4.4357715137E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.6137164087E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0738301659E-04  1.0636560273E-05
  0.0000000000E+00  1.0636560273E-05 -2.4205192692E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.3437732873E-04  1.0636560273E-05
  1.3437732873E-04  0.0000000000E+00  0.0000000000E+00
  1.0636560273E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.0636560273E-05  2.3262723124E-04
  1.0636560273E-05  0.0000000000E+00  0.0000000000E+00
  2.3262723124E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.3437732873E-04  1.0636560273E-05
  1.3437732873E-04  0.0000000000E+00  0.0000000000E+00
  1.0636560273E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.0738301659E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6137164087E-04 -1.0636560273E-05
  0.0000000000E+00 -1.0636560273E-05 -2.4205192692E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.0636560273E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0636560273E-05  2.3262723124E-04
  0.0000000000E+00  2.3262723124E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.0636560273E-05  2.3262723124E-04
  1.0636560273E-05  0.0000000000E+00  0.0000000000E+00
  2.3262723124E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.0636560273E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0636560273E-05  2.3262723124E-04
  0.0000000000E+00  2.3262723124E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.4205192692E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4205192692E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.1884175486E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.2936138930E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2936138930E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7302216635E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.6822984522E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.4429809952E-04  6.3819361641E-05
  0.0000000000E+00  6.3819361641E-05 -1.4523115615E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  8.0626397237E-04  6.3819361641E-05
  8.0626397237E-04  0.0000000000E+00  0.0000000000E+00
  6.3819361641E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  6.3819361641E-05  1.3957633875E-03
  6.3819361641E-05  0.0000000000E+00  0.0000000000E+00
  1.3957633875E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  8.0626397237E-04  6.3819361641E-05
  8.0626397237E-04  0.0000000000E+00  0.0000000000E+00
  6.3819361641E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.4429809952E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.6822984522E-04 -6.3819361641E-05
  0.0000000000E+00 -6.3819361641E-05 -1.4523115615E-04

 Crystal Tensor_qq(ke,je,3,2)
  6.3819361641E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3819361641E-05  1.3957633875E-03
  0.0000000000E+00  1.3957633875E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  6.3819361641E-05  1.3957633875E-03
  6.3819361641E-05  0.0000000000E+00  0.0000000000E+00
  1.3957633875E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  6.3819361641E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3819361641E-05  1.3957633875E-03
  0.0000000000E+00  1.3957633875E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.4523115615E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4523115615E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1130505292E-04

 Convertion factor = 110.16936 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -10.800  2.37424E-02  2.37424E-02  2.43319E-02  2.05117E-02  1.86980E-02  2.05117E-02  2.19899E-02
   dip-dip  2.29361E-02  2.29361E-02  2.29361E-02  2.01192E-02  1.73022E-02  2.01192E-02  2.10582E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  8.06264E-04  8.06264E-04  1.39576E-03  3.92499E-04  1.39576E-03  3.92499E-04  9.31726E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.93840E-02 -5.16968E-17  5.41969E-02  4.03811E-17
   dip-dip -3.50239E-17  0.00000E+00 -2.87368E-17  0.00000E+00
   dip-qua -6.93840E-02 -5.16968E-17  5.41969E-02  4.03811E-17
   qua-qua  3.98535E-18  0.00000E+00  1.50087E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -10.70000 eV

 Vmoy = -16.41448 eV, Vmftabs = -19.94160 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.770E-05  3.407E-07   -1.957E-02 -3.767E-04   -3.666E-03 -7.053E-05
  1  0    1  1      2.211E-03 -8.279E-05   -5.658E-02  2.119E-03   -6.411E-03  2.402E-04
  2  0    1  1      1.608E-03 -1.006E-04   -6.726E-02  4.208E-03   -1.287E-02  8.051E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.0792996573E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0792996573E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6405866231E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.6298778223E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.6298778223E-04  3.0226038069E-04
  0.0000000000E+00  3.0226038069E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.6298778223E-04 -3.0226038069E-04
 -3.6298778223E-04  0.0000000000E+00  0.0000000000E+00
 -3.0226038069E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4754555448E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.0348956293E-05  5.6390954435E-06
  0.0000000000E+00  5.6390954435E-06 -2.7027204943E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.1894725539E-04  5.6390954435E-06
  1.1894725539E-04  0.0000000000E+00  0.0000000000E+00
  5.6390954435E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  5.6390954435E-06  1.8057094178E-04
  5.6390954435E-06  0.0000000000E+00  0.0000000000E+00
  1.8057094178E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.1894725539E-04  5.6390954435E-06
  1.1894725539E-04  0.0000000000E+00  0.0000000000E+00
  5.6390954435E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -9.0348956293E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4754555448E-04 -5.6390954435E-06
  0.0000000000E+00 -5.6390954435E-06 -2.7027204943E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  5.6390954435E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6390954435E-06  1.8057094178E-04
  0.0000000000E+00  1.8057094178E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  5.6390954435E-06  1.8057094178E-04
  5.6390954435E-06  0.0000000000E+00  0.0000000000E+00
  1.8057094178E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  5.6390954435E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6390954435E-06  1.8057094178E-04
  0.0000000000E+00  1.8057094178E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.7027204943E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.7027204943E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.5838375085E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8475797944E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8475797944E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5843519739E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.8527332691E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.4209373776E-04  3.3834572661E-05
  0.0000000000E+00  3.3834572661E-05 -1.6216322966E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  7.1368353233E-04  3.3834572661E-05
  7.1368353233E-04  0.0000000000E+00  0.0000000000E+00
  3.3834572661E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.3834572661E-05  1.0834256507E-03
  3.3834572661E-05  0.0000000000E+00  0.0000000000E+00
  1.0834256507E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  7.1368353233E-04  3.3834572661E-05
  7.1368353233E-04  0.0000000000E+00  0.0000000000E+00
  3.3834572661E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.4209373776E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.8527332691E-04 -3.3834572661E-05
  0.0000000000E+00 -3.3834572661E-05 -1.6216322966E-04

 Crystal Tensor_qq(ke,je,3,2)
  3.3834572661E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3834572661E-05  1.0834256507E-03
  0.0000000000E+00  1.0834256507E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.3834572661E-05  1.0834256507E-03
  3.3834572661E-05  0.0000000000E+00  0.0000000000E+00
  1.0834256507E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.3834572661E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3834572661E-05  1.0834256507E-03
  0.0000000000E+00  1.0834256507E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.6216322966E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6216322966E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3503025051E-04

 Convertion factor = 110.17079 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -10.700  1.91895E-02  1.91895E-02  1.95592E-02  1.75458E-02  1.69269E-02  1.75458E-02  1.83726E-02
   dip-dip  1.84758E-02  1.84758E-02  1.84758E-02  1.71597E-02  1.58435E-02  1.71597E-02  1.75984E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  7.13684E-04  7.13684E-04  1.08343E-03  3.86158E-04  1.08343E-03  3.86158E-04  7.74240E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.74399E-02 -3.53466E-17  3.55406E-02  2.64807E-17
   dip-dip -1.63641E-17  0.00000E+00 -1.34266E-17  0.00000E+00
   dip-qua -4.74399E-02 -3.53466E-17  3.55406E-02  2.64807E-17
   qua-qua  2.34567E-18  0.00000E+00  8.70463E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -10.60000 eV

 Vmoy = -16.41713 eV, Vmftabs = -19.94352 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.813E-05  3.826E-07   -2.004E-02 -4.231E-04   -3.755E-03 -7.921E-05
  1  0    1  1      2.133E-03 -7.510E-05   -5.457E-02  1.922E-03   -6.183E-03  2.179E-04
  2  0    1  1      1.512E-03 -8.895E-05   -6.322E-02  3.721E-03   -1.209E-02  7.120E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.5976511918E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5976511918E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4609808862E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.0319790439E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0319790439E-04  2.1974383377E-04
  0.0000000000E+00  2.1974383377E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.0319790439E-04 -2.1974383377E-04
 -3.0319790439E-04  0.0000000000E+00  0.0000000000E+00
 -2.1974383377E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4001669882E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.9121996167E-05  2.6597696861E-06
  0.0000000000E+00  2.6597696861E-06 -3.0211497175E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.0956934749E-04  2.6597696861E-06
  1.0956934749E-04  0.0000000000E+00  0.0000000000E+00
  2.6597696861E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.6597696861E-06  1.5094836829E-04
  2.6597696861E-06  0.0000000000E+00  0.0000000000E+00
  1.5094836829E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.0956934749E-04  2.6597696861E-06
  1.0956934749E-04  0.0000000000E+00  0.0000000000E+00
  2.6597696861E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.9121996167E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4001669882E-04 -2.6597696861E-06
  0.0000000000E+00 -2.6597696861E-06 -3.0211497175E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.6597696861E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6597696861E-06  1.5094836829E-04
  0.0000000000E+00  1.5094836829E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.6597696861E-06  1.5094836829E-04
  2.6597696861E-06  0.0000000000E+00  0.0000000000E+00
  1.5094836829E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.6597696861E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6597696861E-06  1.5094836829E-04
  0.0000000000E+00  1.5094836829E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.0211497175E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0211497175E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0460923410E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.5585907151E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5585907151E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4765885317E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.4010019291E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7473197700E-04  1.5958618117E-05
  0.0000000000E+00  1.5958618117E-05 -1.8126898305E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.5741608496E-04  1.5958618117E-05
  6.5741608496E-04  0.0000000000E+00  0.0000000000E+00
  1.5958618117E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.5958618117E-05  9.0569020974E-04
  1.5958618117E-05  0.0000000000E+00  0.0000000000E+00
  9.0569020974E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.5741608496E-04  1.5958618117E-05
  6.5741608496E-04  0.0000000000E+00  0.0000000000E+00
  1.5958618117E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.7473197700E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4010019291E-04 -1.5958618117E-05
  0.0000000000E+00 -1.5958618117E-05 -1.8126898305E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.5958618117E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5958618117E-05  9.0569020974E-04
  0.0000000000E+00  9.0569020974E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.5958618117E-05  9.0569020974E-04
  1.5958618117E-05  0.0000000000E+00  0.0000000000E+00
  9.0569020974E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.5958618117E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5958618117E-05  9.0569020974E-04
  0.0000000000E+00  9.0569020974E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.8126898305E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8126898305E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6276554046E-04

 Convertion factor = 110.17222 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -10.600  1.62433E-02  1.62433E-02  1.64916E-02  1.55672E-02  1.56716E-02  1.55672E-02  1.59983E-02
   dip-dip  1.55859E-02  1.55859E-02  1.55859E-02  1.51759E-02  1.47659E-02  1.51759E-02  1.53126E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.57416E-04  6.57416E-04  9.05690E-04  3.91351E-04  9.05690E-04  3.91351E-04  6.85775E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.46020E-02 -2.57813E-17  2.48592E-02  1.85221E-17
   dip-dip -5.09790E-18  0.00000E+00 -4.18278E-18  0.00000E+00
   dip-qua -3.46020E-02 -2.57813E-17  2.48592E-02  1.85221E-17
   qua-qua  1.40424E-18  0.00000E+00  5.04866E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -10.50000 eV

 Vmoy = -16.41985 eV, Vmftabs = -19.94543 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.861E-05  4.275E-07   -2.057E-02 -4.728E-04   -3.854E-03 -8.852E-05
  1  0    1  1      2.062E-03 -6.846E-05   -5.275E-02  1.752E-03   -5.977E-03  1.987E-04
  2  0    1  1      1.426E-03 -7.916E-05   -5.962E-02  3.311E-03   -1.141E-02  6.336E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2703409528E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2703409528E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2743297996E-03

 Tensor_dq(1,ks,j2), prototypical atom
  2.6118855877E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6118855877E-04  1.6909080497E-04
  0.0000000000E+00  1.6909080497E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -2.6118855877E-04 -1.6909080497E-04
 -2.6118855877E-04  0.0000000000E+00  0.0000000000E+00
 -1.6909080497E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3681480038E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.1686112913E-05  9.5434423908E-07
  0.0000000000E+00  9.5434423908E-07 -3.3850493251E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.0425045665E-04  9.5434423908E-07
  1.0425045665E-04  0.0000000000E+00  0.0000000000E+00
  9.5434423908E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  9.5434423908E-07  1.3359786422E-04
  9.5434423908E-07  0.0000000000E+00  0.0000000000E+00
  1.3359786422E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.0425045665E-04  9.5434423908E-07
  1.0425045665E-04  0.0000000000E+00  0.0000000000E+00
  9.5434423908E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.1686112913E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3681480038E-04 -9.5434423908E-07
  0.0000000000E+00 -9.5434423908E-07 -3.3850493251E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  9.5434423908E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.5434423908E-07  1.3359786422E-04
  0.0000000000E+00  1.3359786422E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  9.5434423908E-07  1.3359786422E-04
  9.5434423908E-07  0.0000000000E+00  0.0000000000E+00
  1.3359786422E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  9.5434423908E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.5434423908E-07  1.3359786422E-04
  0.0000000000E+00  1.3359786422E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.3850493251E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3850493251E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.5859814794E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3622045717E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3622045717E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3645978798E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.2088880228E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3011667748E-04  5.7260654345E-06
  0.0000000000E+00  5.7260654345E-06 -2.0310295950E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.2550273988E-04  5.7260654345E-06
  6.2550273988E-04  0.0000000000E+00  0.0000000000E+00
  5.7260654345E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  5.7260654345E-06  8.0158718530E-04
  5.7260654345E-06  0.0000000000E+00  0.0000000000E+00
  8.0158718530E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.2550273988E-04  5.7260654345E-06
  6.2550273988E-04  0.0000000000E+00  0.0000000000E+00
  5.7260654345E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.3011667748E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.2088880228E-04 -5.7260654345E-06
  0.0000000000E+00 -5.7260654345E-06 -2.0310295950E-04

 Crystal Tensor_qq(ke,je,3,2)
  5.7260654345E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.7260654345E-06  8.0158718530E-04
  0.0000000000E+00  8.0158718530E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  5.7260654345E-06  8.0158718530E-04
  5.7260654345E-06  0.0000000000E+00  0.0000000000E+00
  8.0158718530E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  5.7260654345E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.7260654345E-06  8.0158718530E-04
  0.0000000000E+00  8.0158718530E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.0310295950E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0310295950E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9515888876E-04

 Convertion factor = 110.17365 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -10.500  1.42475E-02  1.42475E-02  1.44236E-02  1.40396E-02  1.44476E-02  1.40396E-02  1.42673E-02
   dip-dip  1.36220E-02  1.36220E-02  1.36220E-02  1.36340E-02  1.36460E-02  1.36340E-02  1.36300E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.25503E-04  6.25503E-04  8.01587E-04  4.05563E-04  8.01587E-04  4.05563E-04  6.37286E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.67062E-02 -1.98983E-17  1.84346E-02  1.37353E-17
   dip-dip  1.48789E-19  0.00000E+00  1.22080E-19  0.00000E+00
   dip-qua -2.67062E-02 -1.98983E-17  1.84346E-02  1.37353E-17
   qua-qua  8.53951E-19  0.00000E+00  2.91643E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -10.40000 eV

 Vmoy = -16.42275 eV, Vmftabs = -19.94732 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.914E-05  4.765E-07   -2.116E-02 -5.269E-04   -3.965E-03 -9.866E-05
  1  0    1  1      1.997E-03 -6.268E-05   -5.109E-02  1.604E-03   -5.788E-03  1.819E-04
  2  0    1  1      1.349E-03 -7.084E-05   -5.641E-02  2.963E-03   -1.079E-02  5.670E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.0376648883E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0376648883E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1091538577E-03

 Tensor_dq(1,ks,j2), prototypical atom
  2.3067342439E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3067342439E-04  1.3628179791E-04
  0.0000000000E+00  1.3628179791E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -2.3067342439E-04 -1.3628179791E-04
 -2.3067342439E-04  0.0000000000E+00  0.0000000000E+00
 -1.3628179791E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3681124163E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.6864102089E-05  5.1954961369E-09
  0.0000000000E+00  5.1954961369E-09 -3.8056954425E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.0183767186E-04  5.1954961369E-09
  1.0183767186E-04  0.0000000000E+00  0.0000000000E+00
  5.1954961369E-09  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  5.1954961369E-09  1.2339069326E-04
  5.1954961369E-09  0.0000000000E+00  0.0000000000E+00
  1.2339069326E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.0183767186E-04  5.1954961369E-09
  1.0183767186E-04  0.0000000000E+00  0.0000000000E+00
  5.1954961369E-09  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.6864102089E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3681124163E-04 -5.1954961369E-09
  0.0000000000E+00 -5.1954961369E-09 -3.8056954425E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  5.1954961369E-09  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1954961369E-09  1.2339069326E-04
  0.0000000000E+00  1.2339069326E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  5.1954961369E-09  1.2339069326E-04
  5.1954961369E-09  0.0000000000E+00  0.0000000000E+00
  1.2339069326E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  5.1954961369E-09  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1954961369E-09  1.2339069326E-04
  0.0000000000E+00  1.2339069326E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.8056954425E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8056954425E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.2181203650E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2225989330E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2225989330E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2654923146E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.2086744977E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0118461253E-04  3.1172976821E-08
  0.0000000000E+00  3.1172976821E-08 -2.2834172655E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.1102603115E-04  3.1172976821E-08
  6.1102603115E-04  0.0000000000E+00  0.0000000000E+00
  3.1172976821E-08  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.1172976821E-08  7.4034415958E-04
  3.1172976821E-08  0.0000000000E+00  0.0000000000E+00
  7.4034415958E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.1102603115E-04  3.1172976821E-08
  6.1102603115E-04  0.0000000000E+00  0.0000000000E+00
  3.1172976821E-08  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.0118461253E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.2086744977E-04 -3.1172976821E-08
  0.0000000000E+00 -3.1172976821E-08 -2.2834172655E-04

 Crystal Tensor_qq(ke,je,3,2)
  3.1172976821E-08  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1172976821E-08  7.4034415958E-04
  0.0000000000E+00  7.4034415958E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.1172976821E-08  7.4034415958E-04
  3.1172976821E-08  0.0000000000E+00  0.0000000000E+00
  7.4034415958E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.1172976821E-08  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1172976821E-08  7.4034415958E-04
  0.0000000000E+00  7.4034415958E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.2834172655E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2834172655E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.3308722190E-04

 Convertion factor = 110.17508 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -10.400  1.28370E-02  1.28370E-02  1.29663E-02  1.28681E-02  1.33953E-02  1.28681E-02  1.29828E-02
   dip-dip  1.22260E-02  1.22260E-02  1.22260E-02  1.24405E-02  1.26549E-02  1.24405E-02  1.23690E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.11026E-04  6.11026E-04  7.40344E-04  4.27660E-04  7.40344E-04  4.27660E-04  6.13856E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.15824E-02 -1.60807E-17  1.43555E-02  1.06960E-17
   dip-dip  2.66666E-18  0.00000E+00  2.18797E-18  0.00000E+00
   dip-qua -2.15824E-02 -1.60807E-17  1.43555E-02  1.06960E-17
   qua-qua  5.21027E-19  0.00000E+00  1.64487E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -10.30000 eV

 Vmoy = -16.42584 eV, Vmftabs = -19.94919 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.974E-05  5.305E-07   -2.182E-02 -5.866E-04   -4.089E-03 -1.098E-04
  1  0    1  1      1.937E-03 -5.761E-05   -4.956E-02  1.475E-03   -5.616E-03  1.672E-04
  2  0    1  1      1.280E-03 -6.371E-05   -5.352E-02  2.665E-03   -1.024E-02  5.100E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.8662170966E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8662170966E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9664979229E-03

 Tensor_dq(1,ks,j2), prototypical atom
  2.0783922753E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0783922753E-04  1.1403095647E-04
  0.0000000000E+00  1.1403095647E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -2.0783922753E-04 -1.1403095647E-04
 -2.0783922753E-04  0.0000000000E+00  0.0000000000E+00
 -1.1403095647E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3948280385E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3862405292E-05 -4.7761251146E-07
  0.0000000000E+00 -4.7761251146E-07 -4.2909403669E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.0167260457E-04 -4.7761251146E-07
  1.0167260457E-04  0.0000000000E+00  0.0000000000E+00
 -4.7761251146E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -4.7761251146E-07  1.1770344988E-04
 -4.7761251146E-07  0.0000000000E+00  0.0000000000E+00
  1.1770344988E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.0167260457E-04 -4.7761251146E-07
  1.0167260457E-04  0.0000000000E+00  0.0000000000E+00
 -4.7761251146E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.3862405292E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3948280385E-04  4.7761251146E-07
  0.0000000000E+00  4.7761251146E-07 -4.2909403669E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.7761251146E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7761251146E-07  1.1770344988E-04
  0.0000000000E+00  1.1770344988E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -4.7761251146E-07  1.1770344988E-04
 -4.7761251146E-07  0.0000000000E+00  0.0000000000E+00
  1.1770344988E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.7761251146E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7761251146E-07  1.1770344988E-04
  0.0000000000E+00  1.1770344988E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.2909403669E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2909403669E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.9654520677E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.1197302580E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1197302580E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1798987537E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.3689682311E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8317443175E-04 -2.8656750687E-06
  0.0000000000E+00 -2.8656750687E-06 -2.5745642201E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.1003562743E-04 -2.8656750687E-06
  6.1003562743E-04  0.0000000000E+00  0.0000000000E+00
 -2.8656750687E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.8656750687E-06  7.0622069928E-04
 -2.8656750687E-06  0.0000000000E+00  0.0000000000E+00
  7.0622069928E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.1003562743E-04 -2.8656750687E-06
  6.1003562743E-04  0.0000000000E+00  0.0000000000E+00
 -2.8656750687E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.8317443175E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3689682311E-04  2.8656750687E-06
  0.0000000000E+00  2.8656750687E-06 -2.5745642201E-04

 Crystal Tensor_qq(ke,je,3,2)
 -2.8656750687E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8656750687E-06  7.0622069928E-04
  0.0000000000E+00  7.0622069928E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.8656750687E-06  7.0622069928E-04
 -2.8656750687E-06  0.0000000000E+00  0.0000000000E+00
  7.0622069928E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.8656750687E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8656750687E-06  7.0622069928E-04
  0.0000000000E+00  7.0622069928E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.5745642201E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5745642201E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.7792712406E-04

 Convertion factor = 110.17652 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -10.300  1.18073E-02  1.18073E-02  1.19035E-02  1.19556E-02  1.25052E-02  1.19556E-02  1.20057E-02
   dip-dip  1.11973E-02  1.11973E-02  1.11973E-02  1.14981E-02  1.17990E-02  1.14981E-02  1.13979E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.10036E-04  6.10036E-04  7.06221E-04  4.57434E-04  7.06221E-04  4.57434E-04  6.07816E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.81014E-02 -1.34870E-17  1.16424E-02  8.67454E-18
   dip-dip  3.74069E-18  0.00000E+00  3.06920E-18  0.00000E+00
   dip-qua -1.81014E-02 -1.34870E-17  1.16424E-02  8.67454E-18
   qua-qua  3.14191E-19  0.00000E+00  8.80345E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -10.20000 eV

 Vmoy = -16.42883 eV, Vmftabs = -19.95105 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      2.040E-05  5.901E-07   -2.255E-02 -6.525E-04   -4.225E-03 -1.222E-04
  1  0    1  1      1.883E-03 -5.315E-05   -4.816E-02  1.361E-03   -5.457E-03  1.543E-04
  2  0    1  1      1.217E-03 -5.758E-05   -5.091E-02  2.409E-03   -9.739E-03  4.609E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.7363086433E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7363086433E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8419494099E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.9027773514E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9027773514E-04  9.8364614945E-05
  0.0000000000E+00  9.8364614945E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.9027773514E-04 -9.8364614945E-05
 -1.9027773514E-04  0.0000000000E+00  0.0000000000E+00
 -9.8364614945E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4454279326E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.2235039782E-05 -6.4755446400E-07
  0.0000000000E+00 -6.4755446400E-07 -4.8573883795E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.0338891652E-04 -6.4755446400E-07
  1.0338891652E-04  0.0000000000E+00  0.0000000000E+00
 -6.4755446400E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -6.4755446400E-07  1.1512752077E-04
 -6.4755446400E-07  0.0000000000E+00  0.0000000000E+00
  1.1512752077E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.0338891652E-04 -6.4755446400E-07
  1.0338891652E-04  0.0000000000E+00  0.0000000000E+00
 -6.4755446400E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.2235039782E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4454279326E-04  6.4755446400E-07
  0.0000000000E+00  6.4755446400E-07 -4.8573883795E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -6.4755446400E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.4755446400E-07  1.1512752077E-04
  0.0000000000E+00  1.1512752077E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -6.4755446400E-07  1.1512752077E-04
 -6.4755446400E-07  0.0000000000E+00  0.0000000000E+00
  1.1512752077E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -6.4755446400E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.4755446400E-07  1.1512752077E-04
  0.0000000000E+00  1.1512752077E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.8573883795E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.8573883795E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.8526214609E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0417851860E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0417851860E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1051696460E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.6725675957E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7341023869E-04 -3.8853267840E-06
  0.0000000000E+00 -3.8853267840E-06 -2.9144330277E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.2033349913E-04 -3.8853267840E-06
  6.2033349913E-04  0.0000000000E+00  0.0000000000E+00
 -3.8853267840E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.8853267840E-06  6.9076512459E-04
 -3.8853267840E-06  0.0000000000E+00  0.0000000000E+00
  6.9076512459E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.2033349913E-04 -3.8853267840E-06
  6.2033349913E-04  0.0000000000E+00  0.0000000000E+00
 -3.8853267840E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.7341023869E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.6725675957E-04  3.8853267840E-06
  0.0000000000E+00  3.8853267840E-06 -2.9144330277E-04

 Crystal Tensor_qq(ke,je,3,2)
 -3.8853267840E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8853267840E-06  6.9076512459E-04
  0.0000000000E+00  6.9076512459E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.8853267840E-06  6.9076512459E-04
 -3.8853267840E-06  0.0000000000E+00  0.0000000000E+00
  6.9076512459E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.8853267840E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8853267840E-06  6.9076512459E-04
  0.0000000000E+00  6.9076512459E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.9144330277E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9144330277E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.3115728765E-04

 Convertion factor = 110.17795 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -10.200  1.10382E-02  1.10382E-02  1.11086E-02  1.12301E-02  1.17425E-02  1.12301E-02  1.12443E-02
   dip-dip  1.04179E-02  1.04179E-02  1.04179E-02  1.07348E-02  1.10517E-02  1.07348E-02  1.06291E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.20333E-04  6.20333E-04  6.90765E-04  4.95325E-04  6.90765E-04  4.95325E-04  6.15171E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.56462E-02 -1.16577E-17  9.76914E-03  7.27881E-18
   dip-dip  3.94068E-18  0.00000E+00  3.23329E-18  0.00000E+00
   dip-qua -1.56462E-02 -1.16577E-17  9.76914E-03  7.27881E-18
   qua-qua  1.85013E-19  0.00000E+00  4.34983E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -10.10000 eV

 Vmoy = -16.43161 eV, Vmftabs = -19.95270 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      2.113E-05  6.563E-07   -2.336E-02 -7.257E-04   -4.376E-03 -1.359E-04
  1  0    1  1      1.832E-03 -4.921E-05   -4.687E-02  1.260E-03   -5.311E-03  1.428E-04
  2  0    1  1      1.161E-03 -5.227E-05   -4.855E-02  2.187E-03   -9.288E-03  4.184E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.6358655425E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6358655425E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7321137585E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.7641891708E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7641891708E-04  8.6997654849E-05
  0.0000000000E+00  8.6997654849E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.7641891708E-04 -8.6997654849E-05
 -1.7641891708E-04  0.0000000000E+00  0.0000000000E+00
 -8.6997654849E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5193747849E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.1692396125E-05 -5.8310343522E-07
  0.0000000000E+00 -5.8310343522E-07 -5.5260641863E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.0681493731E-04 -5.8310343522E-07
  1.0681493731E-04  0.0000000000E+00  0.0000000000E+00
 -5.8310343522E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -5.8310343522E-07  1.1489073451E-04
 -5.8310343522E-07  0.0000000000E+00  0.0000000000E+00
  1.1489073451E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.0681493731E-04 -5.8310343522E-07
  1.0681493731E-04  0.0000000000E+00  0.0000000000E+00
 -5.8310343522E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.1692396125E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5193747849E-04  5.8310343522E-07
  0.0000000000E+00  5.8310343522E-07 -5.5260641863E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -5.8310343522E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8310343522E-07  1.1489073451E-04
  0.0000000000E+00  1.1489073451E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -5.8310343522E-07  1.1489073451E-04
 -5.8310343522E-07  0.0000000000E+00  0.0000000000E+00
  1.1489073451E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -5.8310343522E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8310343522E-07  1.1489073451E-04
  0.0000000000E+00  1.1489073451E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.5260641863E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.5260641863E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.9132062369E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.8151932551E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.8151932551E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0392682551E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.1162487095E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7015437675E-04 -3.4986206113E-06
  0.0000000000E+00 -3.4986206113E-06 -3.3156385118E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.4088962385E-04 -3.4986206113E-06
  6.4088962385E-04  0.0000000000E+00  0.0000000000E+00
 -3.4986206113E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.4986206113E-06  6.8934440704E-04
 -3.4986206113E-06  0.0000000000E+00  0.0000000000E+00
  6.8934440704E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.4088962385E-04 -3.4986206113E-06
  6.4088962385E-04  0.0000000000E+00  0.0000000000E+00
 -3.4986206113E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.7015437675E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1162487095E-04  3.4986206113E-06
  0.0000000000E+00  3.4986206113E-06 -3.3156385118E-04

 Crystal Tensor_qq(ke,je,3,2)
 -3.4986206113E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4986206113E-06  6.8934440704E-04
  0.0000000000E+00  6.8934440704E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.4986206113E-06  6.8934440704E-04
 -3.4986206113E-06  0.0000000000E+00  0.0000000000E+00
  6.8934440704E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.4986206113E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4986206113E-06  6.8934440704E-04
  0.0000000000E+00  6.8934440704E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.3156385118E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3156385118E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9479237421E-04

 Convertion factor = 110.17938 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -10.100  1.04561E-02  1.04561E-02  1.05045E-02  1.06463E-02  1.10820E-02  1.06463E-02  1.06417E-02
   dip-dip  9.81519E-03  9.81519E-03  9.81519E-03  1.01039E-02  1.03927E-02  1.01039E-02  1.00077E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.40890E-04  6.40890E-04  6.89344E-04  5.42386E-04  6.89344E-04  5.42386E-04  6.34004E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.38616E-02 -1.03280E-17  8.43779E-03  6.28685E-18
   dip-dip  3.59036E-18  0.00000E+00  2.94585E-18  0.00000E+00
   dip-qua -1.38616E-02 -1.03280E-17  8.43779E-03  6.28685E-18
   qua-qua  1.07085E-19  0.00000E+00  2.07458E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ = -10.00000 eV

 Vmoy = -16.43441 eV, Vmftabs = -19.95411 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      2.193E-05  7.310E-07   -2.425E-02 -8.083E-04   -4.543E-03 -1.514E-04
  1  0    1  1      1.786E-03 -4.569E-05   -4.568E-02  1.170E-03   -5.176E-03  1.326E-04
  2  0    1  1      1.110E-03 -4.764E-05   -4.640E-02  1.993E-03   -8.877E-03  3.814E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5572636166E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5572636166E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6345386064E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.6520337523E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6520337523E-04  7.8553184180E-05
  0.0000000000E+00  7.8553184180E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.6520337523E-04 -7.8553184180E-05
 -1.6520337523E-04  0.0000000000E+00  0.0000000000E+00
 -7.8553184180E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.6181120852E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.2038871976E-05 -3.1832556349E-07
  0.0000000000E+00 -3.1832556349E-07 -6.3252398742E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.1192504025E-04 -3.1832556349E-07
  1.1192504025E-04  0.0000000000E+00  0.0000000000E+00
 -3.1832556349E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -3.1832556349E-07  1.1658398334E-04
 -3.1832556349E-07  0.0000000000E+00  0.0000000000E+00
  1.1658398334E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.1192504025E-04 -3.1832556349E-07
  1.1192504025E-04  0.0000000000E+00  0.0000000000E+00
 -3.1832556349E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.2038871976E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6181120852E-04  3.1832556349E-07
  0.0000000000E+00  3.1832556349E-07 -6.3252398742E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -3.1832556349E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1832556349E-07  1.1658398334E-04
  0.0000000000E+00  1.1658398334E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -3.1832556349E-07  1.1658398334E-04
 -3.1832556349E-07  0.0000000000E+00  0.0000000000E+00
  1.1658398334E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -3.1832556349E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1832556349E-07  1.1658398334E-04
  0.0000000000E+00  1.1658398334E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.3252398742E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3252398742E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1193517968E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.3435816996E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.3435816996E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.8072316385E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.7086725110E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7223323186E-04 -1.9099533809E-06
  0.0000000000E+00 -1.9099533809E-06 -3.7951439245E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.7155024148E-04 -1.9099533809E-06
  6.7155024148E-04  0.0000000000E+00  0.0000000000E+00
 -1.9099533809E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.9099533809E-06  6.9950390005E-04
 -1.9099533809E-06  0.0000000000E+00  0.0000000000E+00
  6.9950390005E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.7155024148E-04 -1.9099533809E-06
  6.7155024148E-04  0.0000000000E+00  0.0000000000E+00
 -1.9099533809E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.7223323186E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.7086725110E-04  1.9099533809E-06
  0.0000000000E+00  1.9099533809E-06 -3.7951439245E-04

 Crystal Tensor_qq(ke,je,3,2)
 -1.9099533809E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9099533809E-06  6.9950390005E-04
  0.0000000000E+00  6.9950390005E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.9099533809E-06  6.9950390005E-04
 -1.9099533809E-06  0.0000000000E+00  0.0000000000E+00
  6.9950390005E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.9099533809E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9099533809E-06  6.9950390005E-04
  0.0000000000E+00  6.9950390005E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.7951439245E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7951439245E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7161107809E-04

 Convertion factor = 110.18081 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
   -10.000  1.00151E-02  1.00151E-02  1.00431E-02  1.01758E-02  1.05067E-02  1.01758E-02  1.01619E-02
   dip-dip  9.34358E-03  9.34358E-03  9.34358E-03  9.57541E-03  9.80723E-03  9.57541E-03  9.49813E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.71550E-04  6.71550E-04  6.99504E-04  6.00377E-04  6.99504E-04  6.00377E-04  6.63752E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.25332E-02 -9.33829E-18  7.47166E-03  5.56700E-18
   dip-dip  2.88263E-18  0.00000E+00  2.36517E-18  0.00000E+00
   dip-qua -1.25332E-02 -9.33829E-18  7.47166E-03  5.56700E-18
   qua-qua  6.59813E-20  0.00000E+00  1.44461E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -9.90000 eV

 Vmoy = -16.43737 eV, Vmftabs = -19.95500 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      2.284E-05  8.165E-07   -2.525E-02 -9.028E-04   -4.731E-03 -1.691E-04
  1  0    1  1      1.742E-03 -4.255E-05   -4.458E-02  1.089E-03   -5.050E-03  1.235E-04
  2  0    1  1      1.063E-03 -4.358E-05   -4.444E-02  1.823E-03   -8.501E-03  3.488E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4954392284E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4954392284E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5473157641E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.5585563764E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5585563764E-04  7.2158444040E-05
  0.0000000000E+00  7.2158444040E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.5585563764E-04 -7.2158444040E-05
 -1.5585563764E-04  0.0000000000E+00  0.0000000000E+00
 -7.2158444040E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.7448620743E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3127268072E-05  1.4470501546E-07
  0.0000000000E+00  1.4470501546E-07 -7.2935586593E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.1880673775E-04  1.4470501546E-07
  1.1880673775E-04  0.0000000000E+00  0.0000000000E+00
  1.4470501546E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.4470501546E-07  1.2001061629E-04
  1.4470501546E-07  0.0000000000E+00  0.0000000000E+00
  1.2001061629E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.1880673775E-04  1.4470501546E-07
  1.1880673775E-04  0.0000000000E+00  0.0000000000E+00
  1.4470501546E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.3127268072E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7448620743E-04 -1.4470501546E-07
  0.0000000000E+00 -1.4470501546E-07 -7.2935586593E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.4470501546E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4470501546E-07  1.2001061629E-04
  0.0000000000E+00  1.2001061629E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.4470501546E-07  1.2001061629E-04
  1.4470501546E-07  0.0000000000E+00  0.0000000000E+00
  1.2001061629E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.4470501546E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4470501546E-07  1.2001061629E-04
  0.0000000000E+00  1.2001061629E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -7.2935586593E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.2935586593E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2757011544E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.9726353701E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9726353701E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.2838945843E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.0469172446E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7876360843E-04  8.6823009278E-07
  0.0000000000E+00  8.6823009278E-07 -4.3761351956E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  7.1284042651E-04  8.6823009278E-07
  7.1284042651E-04  0.0000000000E+00  0.0000000000E+00
  8.6823009278E-07  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  8.6823009278E-07  7.2006369774E-04
  8.6823009278E-07  0.0000000000E+00  0.0000000000E+00
  7.2006369774E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  7.1284042651E-04  8.6823009278E-07
  7.1284042651E-04  0.0000000000E+00  0.0000000000E+00
  8.6823009278E-07  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.7876360843E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0469172446E-03 -8.6823009278E-07
  0.0000000000E+00 -8.6823009278E-07 -4.3761351956E-04

 Crystal Tensor_qq(ke,je,3,2)
  8.6823009278E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.6823009278E-07  7.2006369774E-04
  0.0000000000E+00  7.2006369774E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  8.6823009278E-07  7.2006369774E-04
  8.6823009278E-07  0.0000000000E+00  0.0000000000E+00
  7.2006369774E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  8.6823009278E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.6823009278E-07  7.2006369774E-04
  0.0000000000E+00  7.2006369774E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.3761351956E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3761351956E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.6542069264E-04

 Convertion factor = 110.18224 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -9.900  9.68548E-03  9.68548E-03  9.69270E-03  9.80016E-03  1.00040E-02  9.80016E-03  9.78120E-03
   dip-dip  8.97264E-03  8.97264E-03  8.97264E-03  9.12826E-03  9.28389E-03  9.12826E-03  9.07639E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  7.12840E-04  7.12840E-04  7.20064E-04  6.71891E-04  7.20064E-04  6.71891E-04  7.04810E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.15249E-02 -8.58696E-18  6.76133E-03  5.03774E-18
   dip-dip  1.93521E-18  0.00000E+00  1.58782E-18  0.00000E+00
   dip-qua -1.15249E-02 -8.58696E-18  6.76133E-03  5.03774E-18
   qua-qua  5.45555E-20  0.00000E+00  2.23106E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -9.80000 eV

 Vmoy = -16.44026 eV, Vmftabs = -19.95556 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      2.384E-05  9.145E-07   -2.636E-02 -1.011E-03   -4.939E-03 -1.894E-04
  1  0    1  1      1.702E-03 -3.972E-05   -4.355E-02  1.017E-03   -4.934E-03  1.153E-04
  2  0    1  1      1.020E-03 -4.000E-05   -4.264E-02  1.673E-03   -8.157E-03  3.202E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4468660248E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4468660248E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4688866975E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.4774798513E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4774798513E-04  6.7227811308E-05
  0.0000000000E+00  6.7227811308E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.4774798513E-04 -6.7227811308E-05
 -1.4774798513E-04  0.0000000000E+00  0.0000000000E+00
 -6.7227811308E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.9047789706E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.4820536323E-05  8.3111233461E-07
  0.0000000000E+00  8.3111233461E-07 -8.4846143878E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.2764921669E-04  8.3111233461E-07
  1.2764921669E-04  0.0000000000E+00  0.0000000000E+00
  8.3111233461E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  8.3111233461E-07  1.2510991988E-04
  8.3111233461E-07  0.0000000000E+00  0.0000000000E+00
  1.2510991988E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.2764921669E-04  8.3111233461E-07
  1.2764921669E-04  0.0000000000E+00  0.0000000000E+00
  8.3111233461E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.4820536323E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9047789706E-04 -8.3111233461E-07
  0.0000000000E+00 -8.3111233461E-07 -8.4846143878E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  8.3111233461E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.3111233461E-07  1.2510991988E-04
  0.0000000000E+00  1.2510991988E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  8.3111233461E-07  1.2510991988E-04
  8.3111233461E-07  0.0000000000E+00  0.0000000000E+00
  1.2510991988E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  8.3111233461E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.3111233461E-07  1.2510991988E-04
  0.0000000000E+00  1.2510991988E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -8.4846143878E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.4846143878E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4691571282E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.6811961490E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.6811961490E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.8133201852E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.1428673823E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8892321794E-04  4.9866740077E-06
  0.0000000000E+00  4.9866740077E-06 -5.0907686327E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  7.6589530014E-04  4.9866740077E-06
  7.6589530014E-04  0.0000000000E+00  0.0000000000E+00
  4.9866740077E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.9866740077E-06  7.5065951928E-04
  4.9866740077E-06  0.0000000000E+00  0.0000000000E+00
  7.5065951928E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  7.6589530014E-04  4.9866740077E-06
  7.6589530014E-04  0.0000000000E+00  0.0000000000E+00
  4.9866740077E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.8892321794E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1428673823E-03 -4.9866740077E-06
  0.0000000000E+00 -4.9866740077E-06 -5.0907686327E-04

 Crystal Tensor_qq(ke,je,3,2)
  4.9866740077E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9866740077E-06  7.5065951928E-04
  0.0000000000E+00  7.5065951928E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.9866740077E-06  7.5065951928E-04
  4.9866740077E-06  0.0000000000E+00  0.0000000000E+00
  7.5065951928E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.9866740077E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9866740077E-06  7.5065951928E-04
  0.0000000000E+00  7.5065951928E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.0907686327E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.0907686327E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.8149427694E-04

 Convertion factor = 110.18367 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -9.800  9.44709E-03  9.44709E-03  9.43186E-03  9.50789E-03  9.56398E-03  9.50789E-03  9.48363E-03
   dip-dip  8.68120E-03  8.68120E-03  8.68120E-03  8.74726E-03  8.81332E-03  8.74726E-03  8.72524E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  7.65895E-04  7.65895E-04  7.50660E-04  7.60629E-04  7.50660E-04  7.60629E-04  7.58397E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.07448E-02 -8.00574E-18  6.23607E-03  4.64638E-18
   dip-dip  8.21471E-19  0.00000E+00  6.74010E-19  0.00000E+00
   dip-qua -1.07448E-02 -8.00574E-18  6.23607E-03  4.64638E-18
   qua-qua  7.06436E-20  0.00000E+00  4.42599E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -9.70000 eV

 Vmoy = -16.44319 eV, Vmftabs = -19.95612 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      2.497E-05  1.028E-06   -2.761E-02 -1.137E-03   -5.172E-03 -2.130E-04
  1  0    1  1      1.665E-03 -3.717E-05   -4.259E-02  9.514E-04   -4.825E-03  1.079E-04
  2  0    1  1      9.800E-04 -3.682E-05   -4.099E-02  1.540E-03   -7.841E-03  2.948E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4092519855E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4092519855E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3980730452E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.4035867676E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4035867676E-04  6.3352993363E-05
  0.0000000000E+00  6.3352993363E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.4035867676E-04 -6.3352993363E-05
 -1.4035867676E-04  0.0000000000E+00  0.0000000000E+00
 -6.3352993363E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.1058179530E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.6960698771E-05  1.7906769456E-06
  0.0000000000E+00  1.7906769456E-06 -9.9763693177E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.3877124704E-04  1.7906769456E-06
  1.3877124704E-04  0.0000000000E+00  0.0000000000E+00
  1.7906769456E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.7906769456E-06  1.3194866342E-04
  1.7906769456E-06  0.0000000000E+00  0.0000000000E+00
  1.3194866342E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.3877124704E-04  1.7906769456E-06
  1.3877124704E-04  0.0000000000E+00  0.0000000000E+00
  1.7906769456E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.6960698771E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1058179530E-04 -1.7906769456E-06
  0.0000000000E+00 -1.7906769456E-06 -9.9763693177E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.7906769456E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7906769456E-06  1.3194866342E-04
  0.0000000000E+00  1.3194866342E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.7906769456E-06  1.3194866342E-04
  1.7906769456E-06  0.0000000000E+00  0.0000000000E+00
  1.3194866342E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.7906769456E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7906769456E-06  1.3194866342E-04
  0.0000000000E+00  1.3194866342E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -9.9763693177E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.9763693177E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7124915020E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.4555119128E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4555119128E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.3884382712E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.2634907718E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0176419263E-04  1.0744061674E-05
  0.0000000000E+00  1.0744061674E-05 -5.9858215906E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  8.3262748223E-04  1.0744061674E-05
  8.3262748223E-04  0.0000000000E+00  0.0000000000E+00
  1.0744061674E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.0744061674E-05  7.9169198055E-04
  1.0744061674E-05  0.0000000000E+00  0.0000000000E+00
  7.9169198055E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  8.3262748223E-04  1.0744061674E-05
  8.3262748223E-04  0.0000000000E+00  0.0000000000E+00
  1.0744061674E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.0176419263E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2634907718E-03 -1.0744061674E-05
  0.0000000000E+00 -1.0744061674E-05 -5.9858215906E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.0744061674E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0744061674E-05  7.9169198055E-04
  0.0000000000E+00  7.9169198055E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.0744061674E-05  7.9169198055E-04
  1.0744061674E-05  0.0000000000E+00  0.0000000000E+00
  7.9169198055E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.0744061674E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0744061674E-05  7.9169198055E-04
  0.0000000000E+00  7.9169198055E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.9858215906E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.9858215906E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0274949012E-03

 Convertion factor = 110.18510 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -9.700  9.28814E-03  9.28814E-03  9.24720E-03  9.29401E-03  9.18013E-03  9.29401E-03  9.25992E-03
   dip-dip  8.45551E-03  8.45551E-03  8.45551E-03  8.42198E-03  8.38844E-03  8.42198E-03  8.43315E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  8.32627E-04  8.32627E-04  7.91692E-04  8.72037E-04  7.91692E-04  8.72037E-04  8.26763E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.01288E-02 -7.54682E-18  5.84865E-03  4.35772E-18
   dip-dip -4.17031E-19  0.00000E+00 -3.42170E-19  0.00000E+00
   dip-qua -1.01288E-02 -7.54682E-18  5.84865E-03  4.35772E-18
   qua-qua  1.15775E-19  0.00000E+00  8.19460E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -9.60000 eV

 Vmoy = -16.44613 eV, Vmftabs = -19.95667 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      2.624E-05  1.162E-06   -2.901E-02 -1.285E-03   -5.435E-03 -2.406E-04
  1  0    1  1      1.630E-03 -3.486E-05   -4.169E-02  8.923E-04   -4.723E-03  1.012E-04
  2  0    1  1      9.435E-04 -3.400E-05   -3.946E-02  1.422E-03   -7.548E-03  2.722E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3810612722E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3810612722E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3338935712E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.3317470725E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3317470725E-04  6.0222330840E-05
  0.0000000000E+00  6.0222330840E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.3317470725E-04 -6.0222330840E-05
 -1.3317470725E-04  0.0000000000E+00  0.0000000000E+00
 -6.0222330840E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.3597332093E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.9304281089E-05  3.1059326697E-06
  0.0000000000E+00  3.1059326697E-06 -1.1884628198E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.5263880101E-04  3.1059326697E-06
  1.5263880101E-04  0.0000000000E+00  0.0000000000E+00
  3.1059326697E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.1059326697E-06  1.4069816793E-04
  3.1059326697E-06  0.0000000000E+00  0.0000000000E+00
  1.4069816793E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.5263880101E-04  3.1059326697E-06
  1.5263880101E-04  0.0000000000E+00  0.0000000000E+00
  3.1059326697E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.9304281089E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3597332093E-04 -3.1059326697E-06
  0.0000000000E+00 -3.1059326697E-06 -1.1884628198E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  3.1059326697E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1059326697E-06  1.4069816793E-04
  0.0000000000E+00  1.4069816793E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.1059326697E-06  1.4069816793E-04
  3.1059326697E-06  0.0000000000E+00  0.0000000000E+00
  1.4069816793E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.1059326697E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1059326697E-06  1.4069816793E-04
  0.0000000000E+00  1.4069816793E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.1884628198E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1884628198E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0246333668E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.2863676333E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.2863676333E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.0033614272E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.4158399256E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.1582568654E-04  1.8635596018E-05
  0.0000000000E+00  1.8635596018E-05 -7.1307769185E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  9.1583280605E-04  1.8635596018E-05
  9.1583280605E-04  0.0000000000E+00  0.0000000000E+00
  1.8635596018E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.8635596018E-05  8.4418900757E-04
  1.8635596018E-05  0.0000000000E+00  0.0000000000E+00
  8.4418900757E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  9.1583280605E-04  1.8635596018E-05
  9.1583280605E-04  0.0000000000E+00  0.0000000000E+00
  1.8635596018E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.1582568654E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4158399256E-03 -1.8635596018E-05
  0.0000000000E+00 -1.8635596018E-05 -7.1307769185E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.8635596018E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8635596018E-05  8.4418900757E-04
  0.0000000000E+00  8.4418900757E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.8635596018E-05  8.4418900757E-04
  1.8635596018E-05  0.0000000000E+00  0.0000000000E+00
  8.4418900757E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.8635596018E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8635596018E-05  8.4418900757E-04
  0.0000000000E+00  8.4418900757E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -7.1307769185E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.1307769185E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2147800201E-03

 Convertion factor = 110.18653 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -9.600  9.20220E-03  9.20220E-03  9.13056E-03  9.15906E-03  8.84755E-03  9.15906E-03  9.10544E-03
   dip-dip  8.28637E-03  8.28637E-03  8.28637E-03  8.14486E-03  8.00336E-03  8.14486E-03  8.19203E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  9.15833E-04  9.15833E-04  8.44189E-04  1.01419E-03  8.44189E-04  1.01419E-03  9.13405E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -9.62773E-03 -7.17345E-18  5.56588E-03  4.14704E-18
   dip-dip -1.75962E-18  0.00000E+00 -1.44375E-18  0.00000E+00
   dip-qua -9.62773E-03 -7.17345E-18  5.56588E-03  4.14704E-18
   qua-qua  1.95414E-19  0.00000E+00  1.39008E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -9.50000 eV

 Vmoy = -16.44923 eV, Vmftabs = -19.95722 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      2.768E-05  1.321E-06   -3.061E-02 -1.460E-03   -5.734E-03 -2.735E-04
  1  0    1  1      1.597E-03 -3.275E-05   -4.085E-02  8.385E-04   -4.628E-03  9.509E-05
  2  0    1  1      9.097E-04 -3.147E-05   -3.804E-02  1.317E-03   -7.278E-03  2.519E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3614506851E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3614506851E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2755823257E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.2564673877E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2564673877E-04  5.7574599330E-05
  0.0000000000E+00  5.7574599330E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.2564673877E-04 -5.7574599330E-05
 -1.2564673877E-04  0.0000000000E+00  0.0000000000E+00
 -5.7574599330E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.6842097188E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.1423068417E-05  4.9025732448E-06
  0.0000000000E+00  4.9025732448E-06 -1.4388324006E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.6992202015E-04  4.9025732448E-06
  1.6992202015E-04  0.0000000000E+00  0.0000000000E+00
  4.9025732448E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  4.9025732448E-06  1.5165405162E-04
  4.9025732448E-06  0.0000000000E+00  0.0000000000E+00
  1.5165405162E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.6992202015E-04  4.9025732448E-06
  1.6992202015E-04  0.0000000000E+00  0.0000000000E+00
  4.9025732448E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.1423068417E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6842097188E-04 -4.9025732448E-06
  0.0000000000E+00 -4.9025732448E-06 -1.4388324006E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  4.9025732448E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9025732448E-06  1.5165405162E-04
  0.0000000000E+00  1.5165405162E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  4.9025732448E-06  1.5165405162E-04
  4.9025732448E-06  0.0000000000E+00  0.0000000000E+00
  1.5165405162E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.9025732448E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9025732448E-06  1.5165405162E-04
  0.0000000000E+00  1.5165405162E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.4388324006E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4388324006E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4347832497E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.1687041103E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.1687041103E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.6534939543E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.6105258313E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2853841050E-04  2.9415439469E-05
  0.0000000000E+00  2.9415439469E-05 -8.6329944033E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.0195321209E-03  2.9415439469E-05
  1.0195321209E-03  0.0000000000E+00  0.0000000000E+00
  2.9415439469E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.9415439469E-05  9.0992430970E-04
  2.9415439469E-05  0.0000000000E+00  0.0000000000E+00
  9.0992430970E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.0195321209E-03  2.9415439469E-05
  1.0195321209E-03  0.0000000000E+00  0.0000000000E+00
  2.9415439469E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.2853841050E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6105258313E-03 -2.9415439469E-05
  0.0000000000E+00 -2.9415439469E-05 -8.6329944033E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.9415439469E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9415439469E-05  9.0992430970E-04
  0.0000000000E+00  9.0992430970E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.9415439469E-05  9.0992430970E-04
  2.9415439469E-05  0.0000000000E+00  0.0000000000E+00
  9.0992430970E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.9415439469E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9415439469E-05  9.0992430970E-04
  0.0000000000E+00  9.0992430970E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -8.6329944033E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.6329944033E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4608699498E-03

 Convertion factor = 110.18796 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -9.500  9.18824E-03  9.18824E-03  9.07863E-03  9.11060E-03  8.56342E-03  9.11060E-03  9.02065E-03
   dip-dip  8.16870E-03  8.16870E-03  8.16870E-03  7.91110E-03  7.65349E-03  7.91110E-03  7.99697E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.01953E-03  1.01953E-03  9.09924E-04  1.19950E-03  9.09924E-04  1.19950E-03  1.02368E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -9.19976E-03 -6.85457E-18  5.36292E-03  3.99582E-18
   dip-dip -3.20341E-18  0.00000E+00 -2.62836E-18  0.00000E+00
   dip-qua -9.19976E-03 -6.85457E-18  5.36292E-03  3.99582E-18
   qua-qua  3.19577E-19  0.00000E+00  2.21477E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -9.40000 eV

 Vmoy = -16.45260 eV, Vmftabs = -19.95776 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      2.934E-05  1.514E-06   -3.244E-02 -1.674E-03   -6.078E-03 -3.135E-04
  1  0    1  1      1.566E-03 -3.083E-05   -4.007E-02  7.893E-04   -4.539E-03  8.953E-05
  2  0    1  1      8.783E-04 -2.920E-05   -3.673E-02  1.222E-03   -7.026E-03  2.338E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3501282218E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3501282218E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2225145552E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.1709490210E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1709490210E-04  5.5151493594E-05
  0.0000000000E+00  5.5151493594E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.1709490210E-04 -5.5151493594E-05
 -1.1709490210E-04  0.0000000000E+00  0.0000000000E+00
 -5.5151493594E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  3.1064959029E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.2498493172E-05  7.3719410359E-06
  0.0000000000E+00  7.3719410359E-06 -1.7775640657E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.9157404173E-04  7.3719410359E-06
  1.9157404173E-04  0.0000000000E+00  0.0000000000E+00
  7.3719410359E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  7.3719410359E-06  1.6525674426E-04
  7.3719410359E-06  0.0000000000E+00  0.0000000000E+00
  1.6525674426E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.9157404173E-04  7.3719410359E-06
  1.9157404173E-04  0.0000000000E+00  0.0000000000E+00
  7.3719410359E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.2498493172E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1064959029E-04 -7.3719410359E-06
  0.0000000000E+00 -7.3719410359E-06 -1.7775640657E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  7.3719410359E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3719410359E-06  1.6525674426E-04
  0.0000000000E+00  1.6525674426E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  7.3719410359E-06  1.6525674426E-04
  7.3719410359E-06  0.0000000000E+00  0.0000000000E+00
  1.6525674426E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.3719410359E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3719410359E-06  1.6525674426E-04
  0.0000000000E+00  1.6525674426E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.7775640657E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7775640657E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9898842861E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.1007693310E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.1007693310E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.3350873313E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.8638975417E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3499095903E-04  4.4231646216E-05
  0.0000000000E+00  4.4231646216E-05 -1.0665384394E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.1494442504E-03  4.4231646216E-05
  1.1494442504E-03  0.0000000000E+00  0.0000000000E+00
  4.4231646216E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.4231646216E-05  9.9154046556E-04
  4.4231646216E-05  0.0000000000E+00  0.0000000000E+00
  9.9154046556E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.1494442504E-03  4.4231646216E-05
  1.1494442504E-03  0.0000000000E+00  0.0000000000E+00
  4.4231646216E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.3499095903E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8638975417E-03 -4.4231646216E-05
  0.0000000000E+00 -4.4231646216E-05 -1.0665384394E-03

 Crystal Tensor_qq(ke,je,3,2)
  4.4231646216E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4231646216E-05  9.9154046556E-04
  0.0000000000E+00  9.9154046556E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.4231646216E-05  9.9154046556E-04
  4.4231646216E-05  0.0000000000E+00  0.0000000000E+00
  9.9154046556E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.4231646216E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4231646216E-05  9.9154046556E-04
  0.0000000000E+00  9.9154046556E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.0665384394E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0665384394E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7939305717E-03

 Convertion factor = 110.18940 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -9.400  9.25021E-03  9.25021E-03  9.09231E-03  9.16565E-03  8.32663E-03  9.16565E-03  9.01137E-03
   dip-dip  8.10077E-03  8.10077E-03  8.10077E-03  7.71793E-03  7.33509E-03  7.71793E-03  7.84554E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.14944E-03  1.14944E-03  9.91540E-04  1.44773E-03  9.91540E-04  1.44773E-03  1.16582E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -8.80333E-03 -6.55920E-18  5.21861E-03  3.88829E-18
   dip-dip -4.76082E-18  0.00000E+00 -3.90621E-18  0.00000E+00
   dip-qua -8.80333E-03 -6.55920E-18  5.21861E-03  3.88829E-18
   qua-qua  5.04726E-19  0.00000E+00  3.38828E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -9.30000 eV

 Vmoy = -16.45586 eV, Vmftabs = -19.95830 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      3.124E-05  1.748E-06   -3.454E-02 -1.933E-03   -6.471E-03 -3.620E-04
  1  0    1  1      1.537E-03 -2.908E-05   -3.933E-02  7.444E-04   -4.456E-03  8.444E-05
  2  0    1  1      8.491E-04 -2.716E-05   -3.551E-02  1.136E-03   -6.793E-03  2.174E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3472405474E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3472405474E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1740852185E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.0656300436E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0656300436E-04  5.2639422724E-05
  0.0000000000E+00  5.2639422724E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.0656300436E-04 -5.2639422724E-05
 -1.0656300436E-04  0.0000000000E+00  0.0000000000E+00
 -5.2639422724E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  3.6700743749E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.0885441570E-05  1.0809477581E-05
  0.0000000000E+00  1.0809477581E-05 -2.2533346982E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.1894643953E-04  1.0809477581E-05
  2.1894643953E-04  0.0000000000E+00  0.0000000000E+00
  1.0809477581E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.0809477581E-05  1.8212090988E-04
  1.0809477581E-05  0.0000000000E+00  0.0000000000E+00
  1.8212090988E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.1894643953E-04  1.0809477581E-05
  2.1894643953E-04  0.0000000000E+00  0.0000000000E+00
  1.0809477581E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.0885441570E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6700743749E-04 -1.0809477581E-05
  0.0000000000E+00 -1.0809477581E-05 -2.2533346982E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.0809477581E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0809477581E-05  1.8212090988E-04
  0.0000000000E+00  1.8212090988E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.0809477581E-05  1.8212090988E-04
  1.0809477581E-05  0.0000000000E+00  0.0000000000E+00
  1.8212090988E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.0809477581E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0809477581E-05  1.8212090988E-04
  0.0000000000E+00  1.8212090988E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.2533346982E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2533346982E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7690630413E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.0834432846E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0834432846E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.0445113109E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.2020446249E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2531264942E-04  6.4856865484E-05
  0.0000000000E+00  6.4856865484E-05 -1.3520008189E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.3136786372E-03  6.4856865484E-05
  1.3136786372E-03  0.0000000000E+00  0.0000000000E+00
  6.4856865484E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  6.4856865484E-05  1.0927254593E-03
  6.4856865484E-05  0.0000000000E+00  0.0000000000E+00
  1.0927254593E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.3136786372E-03  6.4856865484E-05
  1.3136786372E-03  0.0000000000E+00  0.0000000000E+00
  6.4856865484E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.2531264942E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2020446249E-03 -6.4856865484E-05
  0.0000000000E+00 -6.4856865484E-05 -1.3520008189E-03

 Crystal Tensor_qq(ke,je,3,2)
  6.4856865484E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.4856865484E-05  1.0927254593E-03
  0.0000000000E+00  1.0927254593E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  6.4856865484E-05  1.0927254593E-03
  6.4856865484E-05  0.0000000000E+00  0.0000000000E+00
  1.0927254593E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  6.4856865484E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.4856865484E-05  1.0927254593E-03
  0.0000000000E+00  1.0927254593E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.3520008189E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3520008189E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2614378248E-03

 Convertion factor = 110.19083 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -9.300  9.39712E-03  9.39712E-03  9.17617E-03  9.35585E-03  8.13724E-03  9.35585E-03  9.08995E-03
   dip-dip  8.08344E-03  8.08344E-03  8.08344E-03  7.56398E-03  7.04451E-03  7.56398E-03  7.73713E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.31368E-03  1.31368E-03  1.09273E-03  1.79187E-03  1.09273E-03  1.79187E-03  1.35282E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -8.38756E-03 -6.24942E-18  5.11050E-03  3.80774E-18
   dip-dip -6.45990E-18  0.00000E+00 -5.30029E-18  0.00000E+00
   dip-qua -8.38756E-03 -6.24942E-18  5.11050E-03  3.80774E-18
   qua-qua  7.77246E-19  0.00000E+00  5.05816E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -9.20000 eV

 Vmoy = -16.45901 eV, Vmftabs = -19.95884 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      3.343E-05  2.036E-06   -3.696E-02 -2.251E-03   -6.924E-03 -4.216E-04
  1  0    1  1      1.510E-03 -2.747E-05   -3.863E-02  7.033E-04   -4.377E-03  7.977E-05
  2  0    1  1      8.219E-04 -2.532E-05   -3.437E-02  1.059E-03   -6.575E-03  2.027E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3537943315E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3537943315E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1298641405E-03

 Tensor_dq(1,ks,j2), prototypical atom
  9.2695450768E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.2695450768E-05  4.9618661729E-05
  0.0000000000E+00  4.9618661729E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -9.2695450768E-05 -4.9618661729E-05
 -9.2695450768E-05  0.0000000000E+00  0.0000000000E+00
 -4.9618661729E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  4.4491438401E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3156952316E-05  1.5673735964E-05
  0.0000000000E+00  1.5673735964E-05 -2.9541136589E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.5403566816E-04  1.5673735964E-05
  2.5403566816E-04  0.0000000000E+00  0.0000000000E+00
  1.5673735964E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.5673735964E-05  2.0315437624E-04
  1.5673735964E-05  0.0000000000E+00  0.0000000000E+00
  2.0315437624E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.5403566816E-04  1.5673735964E-05
  2.5403566816E-04  0.0000000000E+00  0.0000000000E+00
  1.5673735964E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.3156952316E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4491438401E-04 -1.5673735964E-05
  0.0000000000E+00 -1.5673735964E-05 -2.9541136589E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.5673735964E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5673735964E-05  2.0315437624E-04
  0.0000000000E+00  2.0315437624E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.5673735964E-05  2.0315437624E-04
  1.5673735964E-05  0.0000000000E+00  0.0000000000E+00
  2.0315437624E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.5673735964E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5673735964E-05  2.0315437624E-04
  0.0000000000E+00  2.0315437624E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.9541136589E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9541136589E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.9151203958E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.1227659892E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.1227659892E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7791848431E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.6694863041E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7894171389E-04  9.4042415782E-05
  0.0000000000E+00  9.4042415782E-05 -1.7724681954E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.5242140090E-03  9.4042415782E-05
  1.5242140090E-03  0.0000000000E+00  0.0000000000E+00
  9.4042415782E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  9.4042415782E-05  1.2189262574E-03
  9.4042415782E-05  0.0000000000E+00  0.0000000000E+00
  1.2189262574E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.5242140090E-03  9.4042415782E-05
  1.5242140090E-03  0.0000000000E+00  0.0000000000E+00
  9.4042415782E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.7894171389E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6694863041E-03 -9.4042415782E-05
  0.0000000000E+00 -9.4042415782E-05 -1.7724681954E-03

 Crystal Tensor_qq(ke,je,3,2)
  9.4042415782E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.4042415782E-05  1.2189262574E-03
  0.0000000000E+00  1.2189262574E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  9.4042415782E-05  1.2189262574E-03
  9.4042415782E-05  0.0000000000E+00  0.0000000000E+00
  1.2189262574E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  9.4042415782E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.4042415782E-05  1.2189262574E-03
  0.0000000000E+00  1.2189262574E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.7724681954E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7724681954E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9490722375E-03

 Convertion factor = 110.19226 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -9.200  9.64698E-03  9.64698E-03  9.34169E-03  9.74185E-03  7.99811E-03  9.74185E-03  9.28145E-03
   dip-dip  8.12277E-03  8.12277E-03  8.12277E-03  7.45098E-03  6.77918E-03  7.45098E-03  7.67491E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.52421E-03  1.52421E-03  1.21893E-03  2.29087E-03  1.21893E-03  2.29087E-03  1.60654E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.88411E-03 -5.87431E-18  5.01046E-03  3.73321E-18
   dip-dip -8.35427E-18  0.00000E+00 -6.85460E-18  0.00000E+00
   dip-qua -7.88411E-03 -5.87431E-18  5.01046E-03  3.73321E-18
   qua-qua  1.17857E-18  0.00000E+00  7.45064E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -9.10000 eV

 Vmoy = -16.46225 eV, Vmftabs = -19.95937 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      3.599E-05  2.399E-06   -3.979E-02 -2.652E-03   -7.455E-03 -4.968E-04
  1  0    1  1      1.485E-03 -2.599E-05   -3.798E-02  6.654E-04   -4.303E-03  7.548E-05
  2  0    1  1      7.966E-04 -2.365E-05   -3.331E-02  9.894E-04   -6.372E-03  1.893E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3719251244E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3719251244E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0895627995E-03

 Tensor_dq(1,ks,j2), prototypical atom
  7.3414544140E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3414544140E-05  4.5447222964E-05
  0.0000000000E+00  4.5447222964E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -7.3414544140E-05 -4.5447222964E-05
 -7.3414544140E-05  0.0000000000E+00  0.0000000000E+00
 -4.5447222964E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  5.5800977970E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.1725210933E-05  2.2699869539E-05
  0.0000000000E+00  2.2699869539E-05 -4.0518503677E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.9986749531E-04  2.2699869539E-05
  2.9986749531E-04  0.0000000000E+00  0.0000000000E+00
  2.2699869539E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.2699869539E-05  2.2970477984E-04
  2.2699869539E-05  0.0000000000E+00  0.0000000000E+00
  2.2970477984E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.9986749531E-04  2.2699869539E-05
  2.9986749531E-04  0.0000000000E+00  0.0000000000E+00
  2.2699869539E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.1725210933E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.5800977970E-04 -2.2699869539E-05
  0.0000000000E+00 -2.2699869539E-05 -4.0518503677E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  2.2699869539E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2699869539E-05  2.2970477984E-04
  0.0000000000E+00  2.2970477984E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.2699869539E-05  2.2970477984E-04
  2.2699869539E-05  0.0000000000E+00  0.0000000000E+00
  2.2970477984E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.2699869539E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2699869539E-05  2.2970477984E-04
  0.0000000000E+00  2.2970477984E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.0518503677E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0518503677E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7068099350E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.2315507463E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.2315507463E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.5373767972E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  3.3480586782E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5035126560E-04  1.3619921723E-04
  0.0000000000E+00  1.3619921723E-04 -2.4311102206E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.7992049719E-03  1.3619921723E-04
  1.7992049719E-03  0.0000000000E+00  0.0000000000E+00
  1.3619921723E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.3619921723E-04  1.3782286791E-03
  1.3619921723E-04  0.0000000000E+00  0.0000000000E+00
  1.3782286791E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.7992049719E-03  1.3619921723E-04
  1.7992049719E-03  0.0000000000E+00  0.0000000000E+00
  1.3619921723E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.5035126560E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3480586782E-03 -1.3619921723E-04
  0.0000000000E+00 -1.3619921723E-04 -2.4311102206E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.3619921723E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3619921723E-04  1.3782286791E-03
  0.0000000000E+00  1.3782286791E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.3619921723E-04  1.3782286791E-03
  1.3619921723E-04  0.0000000000E+00  0.0000000000E+00
  1.3782286791E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.3619921723E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3619921723E-04  1.3782286791E-03
  0.0000000000E+00  1.3782286791E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.4311102206E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4311102206E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0240859610E-03

 Convertion factor = 110.19369 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -9.100  1.00308E-02  1.00308E-02  9.60978E-03  1.04431E-02  7.91561E-03  1.04431E-02  9.63348E-03
   dip-dip  8.23155E-03  8.23155E-03  8.23155E-03  7.38446E-03  6.53738E-03  7.38446E-03  7.66683E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.79920E-03  1.79920E-03  1.37823E-03  3.05859E-03  1.37823E-03  3.05859E-03  1.96665E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.18845E-03 -5.35599E-18  4.87555E-03  3.63269E-18
   dip-dip -1.05344E-17  0.00000E+00 -8.64334E-18  0.00000E+00
   dip-qua -7.18845E-03 -5.35599E-18  4.87555E-03  3.63269E-18
   qua-qua  1.77470E-18  0.00000E+00  1.09168E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -9.00000 eV

 Vmoy = -16.46551 eV, Vmftabs = -19.95990 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      3.903E-05  2.864E-06   -4.315E-02 -3.167E-03   -8.084E-03 -5.932E-04
  1  0    1  1      1.460E-03 -2.463E-05   -3.736E-02  6.304E-04   -4.233E-03  7.152E-05
  2  0    1  1      7.728E-04 -2.214E-05   -3.232E-02  9.260E-04   -6.182E-03  1.772E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4053679550E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4053679550E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0529258012E-03

 Tensor_dq(1,ks,j2), prototypical atom
  4.5301784958E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.5301784958E-05  3.9036207861E-05
  0.0000000000E+00  3.9036207861E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -4.5301784958E-05 -3.9036207861E-05
 -4.5301784958E-05  0.0000000000E+00  0.0000000000E+00
 -3.9036207861E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  7.3390345179E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1599064830E-05  3.3111316668E-05
  0.0000000000E+00  3.3111316668E-05 -5.9171256089E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.6115219348E-04  3.3111316668E-05
  3.6115219348E-04  0.0000000000E+00  0.0000000000E+00
  3.3111316668E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.3111316668E-05  2.6378395621E-04
  3.3111316668E-05  0.0000000000E+00  0.0000000000E+00
  2.6378395621E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.6115219348E-04  3.3111316668E-05
  3.6115219348E-04  0.0000000000E+00  0.0000000000E+00
  3.3111316668E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.1599064830E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3390345179E-04 -3.3111316668E-05
  0.0000000000E+00 -3.3111316668E-05 -5.9171256089E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  3.3111316668E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3111316668E-05  2.6378395621E-04
  0.0000000000E+00  2.6378395621E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.3111316668E-05  2.6378395621E-04
  3.3111316668E-05  0.0000000000E+00  0.0000000000E+00
  2.6378395621E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.3111316668E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3111316668E-05  2.6378395621E-04
  0.0000000000E+00  2.6378395621E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.9171256089E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.9171256089E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.7440813828E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.4322077299E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4322077299E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.3175548069E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.4034207107E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.9594388983E-05  1.9866790001E-04
  0.0000000000E+00  1.9866790001E-04 -3.5502753654E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.1669131609E-03  1.9866790001E-04
  2.1669131609E-03  0.0000000000E+00  0.0000000000E+00
  1.9866790001E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.9866790001E-04  1.5827037372E-03
  1.9866790001E-04  0.0000000000E+00  0.0000000000E+00
  1.5827037372E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.1669131609E-03  1.9866790001E-04
  2.1669131609E-03  0.0000000000E+00  0.0000000000E+00
  1.9866790001E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  6.9594388983E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4034207107E-03 -1.9866790001E-04
  0.0000000000E+00 -1.9866790001E-04 -3.5502753654E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.9866790001E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9866790001E-04  1.5827037372E-03
  0.0000000000E+00  1.5827037372E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.9866790001E-04  1.5827037372E-03
  1.9866790001E-04  0.0000000000E+00  0.0000000000E+00
  1.5827037372E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.9866790001E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9866790001E-04  1.5827037372E-03
  0.0000000000E+00  1.5827037372E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.5502753654E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5502753654E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.8464488297E-03

 Convertion factor = 110.19512 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -9.000  1.05991E-02  1.05991E-02  1.00149E-02  1.17125E-02  7.90026E-03  1.17125E-02  1.02394E-02
   dip-dip  8.43221E-03  8.43221E-03  8.43221E-03  7.37488E-03  6.31755E-03  7.37488E-03  7.72732E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.16691E-03  2.16691E-03  1.58270E-03  4.33761E-03  1.58270E-03  4.33761E-03  2.51208E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.12359E-03 -4.56257E-18  4.63030E-03  3.44995E-18
   dip-dip -1.31491E-17  0.00000E+00 -1.07887E-17  0.00000E+00
   dip-qua -6.12359E-03 -4.56257E-18  4.63030E-03  3.44995E-18
   qua-qua  2.67234E-18  0.00000E+00  1.60037E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -8.90000 eV

 Vmoy = -16.46878 eV, Vmftabs = -19.96042 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      4.267E-05  3.474E-06   -4.717E-02 -3.841E-03   -8.838E-03 -7.196E-04
  1  0    1  1      1.438E-03 -2.336E-05   -3.678E-02  5.982E-04   -4.166E-03  6.786E-05
  2  0    1  1      7.506E-04 -2.075E-05   -3.139E-02  8.682E-04   -6.004E-03  1.662E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4608729878E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4608729878E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0198202777E-03

 Tensor_dq(1,ks,j2), prototypical atom
  2.5044329375E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5044329375E-06  2.8437121549E-05
  0.0000000000E+00  2.8437121549E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -2.5044329375E-06 -2.8437121549E-05
 -2.5044329375E-06  0.0000000000E+00  0.0000000000E+00
 -2.8437121549E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0361529749E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4524695458E-04  4.9021919751E-05
  0.0000000000E+00  4.9021919751E-05 -9.4549921178E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.4545301017E-04  4.9021919751E-05
  4.4545301017E-04  0.0000000000E+00  0.0000000000E+00
  4.9021919751E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  4.9021919751E-05  3.0843002979E-04
  4.9021919751E-05  0.0000000000E+00  0.0000000000E+00
  3.0843002979E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.4545301017E-04  4.9021919751E-05
  4.4545301017E-04  0.0000000000E+00  0.0000000000E+00
  4.9021919751E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.4524695458E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0361529749E-03 -4.9021919751E-05
  0.0000000000E+00 -4.9021919751E-05 -9.4549921178E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  4.9021919751E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9021919751E-05  3.0843002979E-04
  0.0000000000E+00  3.0843002979E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  4.9021919751E-05  3.0843002979E-04
  4.9021919751E-05  0.0000000000E+00  0.0000000000E+00
  3.0843002979E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.9021919751E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9021919751E-05  3.0843002979E-04
  0.0000000000E+00  3.0843002979E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -9.4549921178E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.4549921178E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5490137745E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.7652379269E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7652379269E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.1189216664E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  6.2169178495E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7148172748E-04  2.9413151851E-04
  0.0000000000E+00  2.9413151851E-04 -5.6729952707E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.6727180610E-03  2.9413151851E-04
  2.6727180610E-03  0.0000000000E+00  0.0000000000E+00
  2.9413151851E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.9413151851E-04  1.8505801788E-03
  2.9413151851E-04  0.0000000000E+00  0.0000000000E+00
  1.8505801788E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.6727180610E-03  2.9413151851E-04
  2.6727180610E-03  0.0000000000E+00  0.0000000000E+00
  2.9413151851E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  8.7148172748E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2169178495E-03 -2.9413151851E-04
  0.0000000000E+00 -2.9413151851E-04 -5.6729952707E-03

 Crystal Tensor_qq(ke,je,3,2)
  2.9413151851E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9413151851E-04  1.8505801788E-03
  0.0000000000E+00  1.8505801788E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.9413151851E-04  1.8505801788E-03
  2.9413151851E-04  0.0000000000E+00  0.0000000000E+00
  1.8505801788E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.9413151851E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9413151851E-04  1.8505801788E-03
  0.0000000000E+00  1.8505801788E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.6729952707E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6729952707E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.2940826472E-03

 Convertion factor = 110.19655 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -8.900  1.14380E-02  1.14380E-02  1.06158E-02  1.41563E-02  7.96950E-03  1.41563E-02  1.13047E-02
   dip-dip  8.76524E-03  8.76524E-03  8.76524E-03  7.44208E-03  6.11892E-03  7.44208E-03  7.88313E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.67272E-03  2.67272E-03  1.85058E-03  6.71425E-03  1.85058E-03  6.71425E-03  3.42160E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.37354E-03 -3.25864E-18  4.13307E-03  3.07948E-18
   dip-dip -1.64552E-17  0.00000E+00 -1.35013E-17  0.00000E+00
   dip-qua -4.37354E-03 -3.25864E-18  4.13307E-03  3.07948E-18
   qua-qua  4.04250E-18  0.00000E+00  2.35302E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -8.80000 eV

 Vmoy = -16.47204 eV, Vmftabs = -19.96094 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      4.711E-05  4.297E-06   -5.209E-02 -4.751E-03   -9.759E-03 -8.900E-04
  1  0    1  1      1.416E-03 -2.220E-05   -3.623E-02  5.682E-04   -4.104E-03  6.447E-05
  2  0    1  1      7.297E-04 -1.949E-05   -3.051E-02  8.155E-04   -5.837E-03  1.561E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5509004898E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5509004898E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.9025013055E-04

 Tensor_dq(1,ks,j2), prototypical atom
 -6.5601206521E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.5601206521E-05  9.9432389895E-06
  0.0000000000E+00  9.9432389895E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  6.5601206521E-05 -9.9432389895E-06
  6.5601206521E-05  0.0000000000E+00  0.0000000000E+00
 -9.9432389895E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.6351959037E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0555386073E-04  7.4261785303E-05
  0.0000000000E+00  7.4261785303E-05 -1.7221791205E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.6482102148E-04  7.4261785303E-05
  5.6482102148E-04  0.0000000000E+00  0.0000000000E+00
  7.4261785303E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  7.4261785303E-05  3.6768861364E-04
  7.4261785303E-05  0.0000000000E+00  0.0000000000E+00
  3.6768861364E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.6482102148E-04  7.4261785303E-05
  5.6482102148E-04  0.0000000000E+00  0.0000000000E+00
  7.4261785303E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  5.0555386073E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6351959037E-03 -7.4261785303E-05
  0.0000000000E+00 -7.4261785303E-05 -1.7221791205E-03

 Tensor_qq(ke,je,3,2), prototypical atom
  7.4261785303E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.4261785303E-05  3.6768861364E-04
  0.0000000000E+00  3.6768861364E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  7.4261785303E-05  3.6768861364E-04
  7.4261785303E-05  0.0000000000E+00  0.0000000000E+00
  3.6768861364E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.4261785303E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.4261785303E-05  3.6768861364E-04
  0.0000000000E+00  3.6768861364E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.7221791205E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7221791205E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8071013932E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.3054029386E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.3054029386E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9415007833E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.8111754221E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0333231644E-03  4.4557071182E-04
  0.0000000000E+00  4.4557071182E-04 -1.0333074723E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.3889261289E-03  4.4557071182E-04
  3.3889261289E-03  0.0000000000E+00  0.0000000000E+00
  4.4557071182E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.4557071182E-04  2.2061316818E-03
  4.4557071182E-04  0.0000000000E+00  0.0000000000E+00
  2.2061316818E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.3889261289E-03  4.4557071182E-04
  3.3889261289E-03  0.0000000000E+00  0.0000000000E+00
  4.4557071182E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  3.0333231644E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.8111754221E-03 -4.4557071182E-04
  0.0000000000E+00 -4.4557071182E-04 -1.0333074723E-02

 Crystal Tensor_qq(ke,je,3,2)
  4.4557071182E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4557071182E-04  2.2061316818E-03
  0.0000000000E+00  2.2061316818E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.4557071182E-04  2.2061316818E-03
  4.4557071182E-04  0.0000000000E+00  0.0000000000E+00
  2.2061316818E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.4557071182E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4557071182E-04  2.2061316818E-03
  0.0000000000E+00  2.2061316818E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.0333074723E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0333074723E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6842608359E-02

 Convertion factor = 110.19798 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -8.800  1.26943E-02  1.26943E-02  1.15115E-02  1.94534E-02  8.14763E-03  1.94534E-02  1.33509E-02
   dip-dip  9.30540E-03  9.30540E-03  9.30540E-03  7.62345E-03  5.94150E-03  7.62345E-03  8.18410E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.38893E-03  3.38893E-03  2.20613E-03  1.18300E-02  2.20613E-03  1.18300E-02  5.16676E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.33867E-03 -9.97416E-19  3.10171E-03  2.31103E-18
   dip-dip -2.09175E-17  0.00000E+00 -1.71626E-17  0.00000E+00
   dip-qua -1.33867E-03 -9.97416E-19  3.10171E-03  2.31103E-18
   qua-qua  6.14244E-18  0.00000E+00  3.45245E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -8.70000 eV

 Vmoy = -16.47527 eV, Vmftabs = -19.96146 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      5.264E-05  5.441E-06   -5.820E-02 -6.016E-03   -1.090E-02 -1.127E-03
  1  0    1  1      1.396E-03 -2.111E-05   -3.570E-02  5.405E-04   -4.045E-03  6.132E-05
  2  0    1  1      7.101E-04 -1.834E-05   -2.969E-02  7.672E-04   -5.680E-03  1.468E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.6998851212E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6998851212E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.6441574476E-04

 Tensor_dq(1,ks,j2), prototypical atom
 -1.7965044095E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7965044095E-04 -2.3958775433E-05
  0.0000000000E+00 -2.3958775433E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.7965044095E-04  2.3958775433E-05
  1.7965044095E-04  0.0000000000E+00  0.0000000000E+00
  2.3958775433E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  3.0257649958E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5464350452E-03  1.1618039472E-04
  0.0000000000E+00  1.1618039472E-04 -3.6862357885E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.3966497530E-04  1.1618039472E-04
  7.3966497530E-04  0.0000000000E+00  0.0000000000E+00
  1.1618039472E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.1618039472E-04  4.4683518190E-04
  1.1618039472E-04  0.0000000000E+00  0.0000000000E+00
  4.4683518190E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.3966497530E-04  1.1618039472E-04
  7.3966497530E-04  0.0000000000E+00  0.0000000000E+00
  1.1618039472E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.5464350452E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0257649958E-03 -1.1618039472E-04
  0.0000000000E+00 -1.1618039472E-04 -3.6862357885E-03

 Tensor_qq(ke,je,3,2), prototypical atom
  1.1618039472E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1618039472E-04  4.4683518190E-04
  0.0000000000E+00  4.4683518190E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.1618039472E-04  4.4683518190E-04
  1.1618039472E-04  0.0000000000E+00  0.0000000000E+00
  4.4683518190E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.1618039472E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1618039472E-04  4.4683518190E-04
  0.0000000000E+00  4.4683518190E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.6862357885E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.6862357885E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9807560764E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0199310727E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0199310727E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.7864944685E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.8154589975E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2786102713E-03  6.9708236831E-04
  0.0000000000E+00  6.9708236831E-04 -2.2117414731E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.4379898518E-03  6.9708236831E-04
  4.4379898518E-03  0.0000000000E+00  0.0000000000E+00
  6.9708236831E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  6.9708236831E-04  2.6810110914E-03
  6.9708236831E-04  0.0000000000E+00  0.0000000000E+00
  2.6810110914E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.4379898518E-03  6.9708236831E-04
  4.4379898518E-03  0.0000000000E+00  0.0000000000E+00
  6.9708236831E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  9.2786102713E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8154589975E-02 -6.9708236831E-04
  0.0000000000E+00 -6.9708236831E-04 -2.2117414731E-02

 Crystal Tensor_qq(ke,je,3,2)
  6.9708236831E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.9708236831E-04  2.6810110914E-03
  0.0000000000E+00  2.6810110914E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  6.9708236831E-04  2.6810110914E-03
  6.9708236831E-04  0.0000000000E+00  0.0000000000E+00
  2.6810110914E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  6.9708236831E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.9708236831E-04  2.6810110914E-03
  0.0000000000E+00  2.6810110914E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.2117414731E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2117414731E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5884536458E-02

 Convertion factor = 110.19941 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -8.700  1.46373E-02  1.46373E-02  1.28803E-02  3.25614E-02  8.46751E-03  3.25614E-02  1.78317E-02
   dip-dip  1.01993E-02  1.01993E-02  1.01993E-02  7.99290E-03  5.78649E-03  7.99290E-03  8.72837E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.43799E-03  4.43799E-03  2.68101E-03  2.45685E-02  2.68101E-03  2.45685E-02  9.10333E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  4.19390E-03  3.12480E-18  9.41897E-04  7.01790E-19
   dip-dip -2.74403E-17  0.00000E+00 -2.25145E-17  0.00000E+00
   dip-qua  4.19390E-03  3.12480E-18  9.41897E-04  7.01790E-19
   qua-qua  9.30131E-18  0.00000E+00  4.95829E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -8.60000 eV

 Vmoy = -16.47883 eV, Vmftabs = -19.96197 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      5.979E-05  7.122E-06   -6.610E-02 -7.874E-03   -1.238E-02 -1.475E-03
  1  0    1  1      1.376E-03 -2.010E-05   -3.521E-02  5.146E-04   -3.989E-03  5.839E-05
  2  0    1  1      6.915E-04 -1.728E-05   -2.892E-02  7.228E-04   -5.532E-03  1.383E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.9600788788E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9600788788E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.4288500727E-04

 Tensor_dq(1,ks,j2), prototypical atom
 -3.8309237904E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8309237904E-04 -8.9624322838E-05
  0.0000000000E+00 -8.9624322838E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.8309237904E-04  8.9624322838E-05
  3.8309237904E-04  0.0000000000E+00  0.0000000000E+00
  8.9624322838E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  5.3302347264E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3029209665E-03  1.8984147610E-04
  0.0000000000E+00  1.8984147610E-04 -6.9591974210E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.0136568800E-03  1.8984147610E-04
  1.0136568800E-03  0.0000000000E+00  0.0000000000E+00
  1.8984147610E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.8984147610E-04  5.5855531716E-04
  1.8984147610E-04  0.0000000000E+00  0.0000000000E+00
  5.5855531716E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.0136568800E-03  1.8984147610E-04
  1.0136568800E-03  0.0000000000E+00  0.0000000000E+00
  1.8984147610E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.3029209665E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3302347264E-03 -1.8984147610E-04
  0.0000000000E+00 -1.8984147610E-04 -6.9591974210E-03

 Tensor_qq(ke,je,3,2), prototypical atom
  1.8984147610E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8984147610E-04  5.5855531716E-04
  0.0000000000E+00  5.5855531716E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.8984147610E-04  5.5855531716E-04
  1.8984147610E-04  0.0000000000E+00  0.0000000000E+00
  5.5855531716E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.8984147610E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8984147610E-04  5.5855531716E-04
  0.0000000000E+00  5.5855531716E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.9591974210E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.9591974210E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1257333717E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.1760473273E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1760473273E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.6573100436E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  3.1981408359E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9817525799E-02  1.1390488566E-03
  0.0000000000E+00  1.1390488566E-03 -4.1755184526E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.0819412797E-03  1.1390488566E-03
  6.0819412797E-03  0.0000000000E+00  0.0000000000E+00
  1.1390488566E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.1390488566E-03  3.3513319030E-03
  1.1390488566E-03  0.0000000000E+00  0.0000000000E+00
  3.3513319030E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.0819412797E-03  1.1390488566E-03
  6.0819412797E-03  0.0000000000E+00  0.0000000000E+00
  1.1390488566E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.9817525799E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1981408359E-02 -1.1390488566E-03
  0.0000000000E+00 -1.1390488566E-03 -4.1755184526E-02

 Crystal Tensor_qq(ke,je,3,2)
  1.1390488566E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1390488566E-03  3.3513319030E-03
  0.0000000000E+00  3.3513319030E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.1390488566E-03  3.3513319030E-03
  1.1390488566E-03  0.0000000000E+00  0.0000000000E+00
  3.3513319030E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.1390488566E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1390488566E-03  3.3513319030E-03
  0.0000000000E+00  3.3513319030E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.1755184526E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.1755184526E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7544002300E-02

 Convertion factor = 110.20084 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -8.600  1.78424E-02  1.78424E-02  1.51118E-02  5.44678E-02  9.00864E-03  5.44678E-02  2.52963E-02
   dip-dip  1.17605E-02  1.17605E-02  1.17605E-02  8.70889E-03  5.65731E-03  8.70889E-03  9.72609E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.08194E-03  6.08194E-03  3.35133E-03  4.57589E-02  3.35133E-03  4.57589E-02  1.55702E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.48602E-02  1.10721E-17 -3.67677E-03 -2.73949E-18
   dip-dip -3.79519E-17  0.00000E+00 -3.11392E-17  0.00000E+00
   dip-qua  1.48602E-02  1.10721E-17 -3.67677E-03 -2.73949E-18
   qua-qua  1.50861E-17  0.00000E+00  7.72446E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -8.50000 eV

 Vmoy = -16.48221 eV, Vmftabs = -19.96248 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      6.918E-05  9.688E-06   -7.649E-02 -1.071E-02   -1.433E-02 -2.007E-03
  1  0    1  1      1.358E-03 -1.916E-05   -3.474E-02  4.905E-04   -3.936E-03  5.565E-05
  2  0    1  1      6.740E-04 -1.630E-05   -2.819E-02  6.820E-04   -5.392E-03  1.305E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.4549824402E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4549824402E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.2656848631E-04

 Tensor_dq(1,ks,j2), prototypical atom
 -7.7667600760E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.7667600760E-04 -2.2560870354E-04
  0.0000000000E+00 -2.2560870354E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  7.7667600760E-04  2.2560870354E-04
  7.7667600760E-04  0.0000000000E+00  0.0000000000E+00
  2.2560870354E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  4.4465848670E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4848181847E-03  3.2834164263E-04
  0.0000000000E+00  3.2834164263E-04 -4.7746155735E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.4808833411E-03  3.2834164263E-04
  1.4808833411E-03  0.0000000000E+00  0.0000000000E+00
  3.2834164263E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.2834164263E-04  7.2729113331E-04
  3.2834164263E-04  0.0000000000E+00  0.0000000000E+00
  7.2729113331E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.4808833411E-03  3.2834164263E-04
  1.4808833411E-03  0.0000000000E+00  0.0000000000E+00
  3.2834164263E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.4848181847E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4465848670E-03 -3.2834164263E-04
  0.0000000000E+00 -3.2834164263E-04 -4.7746155735E-03

 Tensor_qq(ke,je,3,2), prototypical atom
  3.2834164263E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2834164263E-04  7.2729113331E-04
  0.0000000000E+00  7.2729113331E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.2834164263E-04  7.2729113331E-04
  3.2834164263E-04  0.0000000000E+00  0.0000000000E+00
  7.2729113331E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.2834164263E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2834164263E-04  7.2729113331E-04
  0.0000000000E+00  7.2729113331E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.7746155735E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7746155735E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7257907761E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.4729894641E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4729894641E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.5594109179E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.6679509202E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9089091085E-03  1.9700498558E-03
  0.0000000000E+00  1.9700498558E-03 -2.8647693441E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  8.8853000467E-03  1.9700498558E-03
  8.8853000467E-03  0.0000000000E+00  0.0000000000E+00
  1.9700498558E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.9700498558E-03  4.3637467999E-03
  1.9700498558E-03  0.0000000000E+00  0.0000000000E+00
  4.3637467999E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  8.8853000467E-03  1.9700498558E-03
  8.8853000467E-03  0.0000000000E+00  0.0000000000E+00
  1.9700498558E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  8.9089091085E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6679509202E-02 -1.9700498558E-03
  0.0000000000E+00 -1.9700498558E-03 -2.8647693441E-02

 Crystal Tensor_qq(ke,je,3,2)
  1.9700498558E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9700498558E-03  4.3637467999E-03
  0.0000000000E+00  4.3637467999E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.9700498558E-03  4.3637467999E-03
  1.9700498558E-03  0.0000000000E+00  0.0000000000E+00
  4.3637467999E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.9700498558E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9700498558E-03  4.3637467999E-03
  0.0000000000E+00  4.3637467999E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.8647693441E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8647693441E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6354744657E-02

 Convertion factor = 110.20228 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -8.500  2.36152E-02  2.36152E-02  1.90936E-02  4.27271E-02  9.92316E-03  4.27271E-02  2.50690E-02
   dip-dip  1.47299E-02  1.47299E-02  1.47299E-02  1.01447E-02  5.55941E-03  1.01447E-02  1.16731E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  8.88530E-03  8.88530E-03  4.36375E-03  3.25824E-02  4.36375E-03  3.25824E-02  1.33959E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  3.68696E-02  2.74708E-17 -1.39323E-02 -1.03807E-17
   dip-dip -5.70264E-17  0.00000E+00 -4.67897E-17  0.00000E+00
   dip-qua  3.68696E-02  2.74708E-17 -1.39323E-02 -1.03807E-17
   qua-qua  3.12326E-17  0.00000E+00  1.71685E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -8.40000 eV

 Vmoy = -16.48558 eV, Vmftabs = -19.96299 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      8.210E-05  1.390E-05   -9.077E-02 -1.537E-02   -1.701E-02 -2.879E-03
  1  0    1  1      1.341E-03 -1.828E-05   -3.430E-02  4.680E-04   -3.885E-03  5.310E-05
  2  0    1  1      6.575E-04 -1.541E-05   -2.750E-02  6.445E-04   -5.260E-03  1.234E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.5198355285E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5198355285E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.1737328054E-04

 Tensor_dq(1,ks,j2), prototypical atom
 -1.6219025401E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6219025401E-03 -5.3036391703E-04
  0.0000000000E+00 -5.3036391703E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.6219025401E-03  5.3036391703E-04
  1.6219025401E-03  0.0000000000E+00  0.0000000000E+00
  5.3036391703E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  3.6953940379E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0228790849E-03  6.0925624265E-04
  0.0000000000E+00  6.0925624265E-04 -2.1498563896E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.3591365614E-03  6.0925624265E-04
  2.3591365614E-03  0.0000000000E+00  0.0000000000E+00
  6.0925624265E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  6.0925624265E-04  9.9604456940E-04
  6.0925624265E-04  0.0000000000E+00  0.0000000000E+00
  9.9604456940E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.3591365614E-03  6.0925624265E-04
  2.3591365614E-03  0.0000000000E+00  0.0000000000E+00
  6.0925624265E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.0228790849E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6953940379E-03 -6.0925624265E-04
  0.0000000000E+00 -6.0925624265E-04 -2.1498563896E-03

 Tensor_qq(ke,je,3,2), prototypical atom
  6.0925624265E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.0925624265E-04  9.9604456940E-04
  0.0000000000E+00  9.9604456940E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  6.0925624265E-04  9.9604456940E-04
  6.0925624265E-04  0.0000000000E+00  0.0000000000E+00
  9.9604456940E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  6.0925624265E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.0925624265E-04  9.9604456940E-04
  0.0000000000E+00  9.9604456940E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.1498563896E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1498563896E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4995486023E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.1119013171E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1119013171E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.5042396833E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.2172364227E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.1372745095E-03  3.6555374559E-03
  0.0000000000E+00  3.6555374559E-03 -1.2899138338E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.4154819368E-02  3.6555374559E-03
  1.4154819368E-02  0.0000000000E+00  0.0000000000E+00
  3.6555374559E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.6555374559E-03  5.9762674164E-03
  3.6555374559E-03  0.0000000000E+00  0.0000000000E+00
  5.9762674164E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.4154819368E-02  3.6555374559E-03
  1.4154819368E-02  0.0000000000E+00  0.0000000000E+00
  3.6555374559E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.1372745095E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2172364227E-02 -3.6555374559E-03
  0.0000000000E+00 -3.6555374559E-03 -1.2899138338E-02

 Crystal Tensor_qq(ke,je,3,2)
  3.6555374559E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.6555374559E-03  5.9762674164E-03
  0.0000000000E+00  5.9762674164E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.6555374559E-03  5.9762674164E-03
  3.6555374559E-03  0.0000000000E+00  0.0000000000E+00
  5.9762674164E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.6555374559E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.6555374559E-03  5.9762674164E-03
  0.0000000000E+00  5.9762674164E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.2899138338E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2899138338E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0997291614E-02

 Convertion factor = 110.20371 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -8.400  3.52738E-02  3.52738E-02  2.70953E-02  3.05536E-02  1.14805E-02  3.05536E-02  2.76207E-02
   dip-dip  2.11190E-02  2.11190E-02  2.11190E-02  1.33116E-02  5.50424E-03  1.33116E-02  1.59141E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.41548E-02  1.41548E-02  5.97627E-03  1.72420E-02  5.97627E-03  1.72420E-02  1.17066E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  8.60899E-02  6.41440E-17 -3.78343E-02 -2.81896E-17
   dip-dip -9.71013E-17  0.00000E+00 -7.96707E-17  0.00000E+00
   dip-qua  8.60899E-02  6.41440E-17 -3.78343E-02 -2.81896E-17
   qua-qua  6.27423E-17  0.00000E+00  3.53562E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -8.30000 eV

 Vmoy = -16.48909 eV, Vmftabs = -19.96349 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.010E-04  2.156E-05   -1.116E-01 -2.384E-02   -2.091E-02 -4.466E-03
  1  0    1  1      1.324E-03 -1.746E-05   -3.387E-02  4.470E-04   -3.837E-03  5.072E-05
  2  0    1  1      6.419E-04 -1.457E-05   -2.684E-02  6.097E-04   -5.135E-03  1.167E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.1752039698E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1752039698E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.1881073092E-04

 Tensor_dq(1,ks,j2), prototypical atom
 -3.6529284570E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6529284570E-03 -1.2570057686E-03
  0.0000000000E+00 -1.2570057686E-03  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.6529284570E-03  1.2570057686E-03
  3.6529284570E-03  0.0000000000E+00  0.0000000000E+00
  1.2570057686E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  4.8952224786E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4779372951E-03  1.2069078020E-03
  0.0000000000E+00  1.2069078020E-03 -1.1438966490E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.1865798868E-03  1.2069078020E-03
  4.1865798868E-03  0.0000000000E+00  0.0000000000E+00
  1.2069078020E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.2069078020E-03  1.4356172033E-03
  1.2069078020E-03  0.0000000000E+00  0.0000000000E+00
  1.4356172033E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.1865798868E-03  1.2069078020E-03
  4.1865798868E-03  0.0000000000E+00  0.0000000000E+00
  1.2069078020E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.4779372951E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8952224786E-03 -1.2069078020E-03
  0.0000000000E+00 -1.2069078020E-03 -1.1438966490E-03

 Tensor_qq(ke,je,3,2), prototypical atom
  1.2069078020E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2069078020E-03  1.4356172033E-03
  0.0000000000E+00  1.4356172033E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.2069078020E-03  1.4356172033E-03
  1.2069078020E-03  0.0000000000E+00  0.0000000000E+00
  1.4356172033E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.2069078020E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2069078020E-03  1.4356172033E-03
  0.0000000000E+00  1.4356172033E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.1438966490E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1438966490E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8897637470E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.7051223819E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7051223819E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.5128643855E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.9371334871E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0867623770E-02  7.2414468119E-03
  0.0000000000E+00  7.2414468119E-03 -6.8633798941E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.5119479321E-02  7.2414468119E-03
  2.5119479321E-02  0.0000000000E+00  0.0000000000E+00
  7.2414468119E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  7.2414468119E-03  8.6137032197E-03
  7.2414468119E-03  0.0000000000E+00  0.0000000000E+00
  8.6137032197E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.5119479321E-02  7.2414468119E-03
  2.5119479321E-02  0.0000000000E+00  0.0000000000E+00
  7.2414468119E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.0867623770E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9371334871E-02 -7.2414468119E-03
  0.0000000000E+00 -7.2414468119E-03 -6.8633798941E-03

 Crystal Tensor_qq(ke,je,3,2)
  7.2414468119E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.2414468119E-03  8.6137032197E-03
  0.0000000000E+00  8.6137032197E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  7.2414468119E-03  8.6137032197E-03
  7.2414468119E-03  0.0000000000E+00  0.0000000000E+00
  8.6137032197E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  7.2414468119E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.2414468119E-03  8.6137032197E-03
  0.0000000000E+00  8.6137032197E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -6.8633798941E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.8633798941E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1338582482E-02

 Convertion factor = 110.20514 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -8.300  6.21707E-02  6.21707E-02  4.56649E-02  3.48912E-02  1.41266E-02  3.48912E-02  4.19862E-02
   dip-dip  3.70512E-02  3.70512E-02  3.70512E-02  2.12820E-02  5.51286E-03  2.12820E-02  2.65384E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.51195E-02  2.51195E-02  8.61370E-03  1.36092E-02  8.61370E-03  1.36092E-02  1.54478E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.03495E-01  1.51620E-16 -9.44342E-02 -7.03612E-17
   dip-dip -1.96126E-16  0.00000E+00 -1.60919E-16  0.00000E+00
   dip-qua  2.03495E-01  1.51620E-16 -9.44342E-02 -7.03612E-17
   qua-qua  1.24818E-16  0.00000E+00  7.10906E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -8.20000 eV

 Vmoy = -16.49254 eV, Vmftabs = -19.96400 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.303E-04  3.751E-05   -1.440E-01 -4.147E-02   -2.698E-02 -7.769E-03
  1  0    1  1      1.309E-03 -1.669E-05   -3.347E-02  4.272E-04   -3.792E-03  4.848E-05
  2  0    1  1      6.271E-04 -1.381E-05   -2.622E-02  5.776E-04   -5.016E-03  1.106E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3072304466E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3072304466E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.3741438805E-04

 Tensor_dq(1,ks,j2), prototypical atom
 -8.4134184141E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4134184141E-03 -2.7485288664E-03
  0.0000000000E+00 -2.7485288664E-03  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  8.4134184141E-03  2.7485288664E-03
  8.4134184141E-03  0.0000000000E+00  0.0000000000E+00
  2.7485288664E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  8.2561759546E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3463751123E-03  2.2439529442E-03
  0.0000000000E+00  2.2439529442E-03 -7.4284102264E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.8012755334E-03  2.2439529442E-03
  7.8012755334E-03  0.0000000000E+00  0.0000000000E+00
  2.2439529442E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.2439529442E-03  2.0232803069E-03
  2.2439529442E-03  0.0000000000E+00  0.0000000000E+00
  2.0232803069E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.8012755334E-03  2.2439529442E-03
  7.8012755334E-03  0.0000000000E+00  0.0000000000E+00
  2.2439529442E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.3463751123E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.2561759546E-03 -2.2439529442E-03
  0.0000000000E+00 -2.2439529442E-03 -7.4284102264E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  2.2439529442E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2439529442E-03  2.0232803069E-03
  0.0000000000E+00  2.0232803069E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.2439529442E-03  2.0232803069E-03
  2.2439529442E-03  0.0000000000E+00  0.0000000000E+00
  2.0232803069E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.2439529442E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2439529442E-03  2.0232803069E-03
  0.0000000000E+00  2.0232803069E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -7.4284102264E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.4284102264E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2597570438E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  7.8433826796E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.8433826796E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.6244863283E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.9537055728E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4078250674E-02  1.3463717665E-02
  0.0000000000E+00  1.3463717665E-02 -4.4570461359E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.6807653201E-02  1.3463717665E-02
  4.6807653201E-02  0.0000000000E+00  0.0000000000E+00
  1.3463717665E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.3463717665E-02  1.2139681842E-02
  1.3463717665E-02  0.0000000000E+00  0.0000000000E+00
  1.2139681842E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.6807653201E-02  1.3463717665E-02
  4.6807653201E-02  0.0000000000E+00  0.0000000000E+00
  1.3463717665E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.4078250674E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9537055728E-02 -1.3463717665E-02
  0.0000000000E+00 -1.3463717665E-02 -4.4570461359E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.3463717665E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3463717665E-02  1.2139681842E-02
  0.0000000000E+00  1.2139681842E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.3463717665E-02  1.2139681842E-02
  1.3463717665E-02  0.0000000000E+00  0.0000000000E+00
  1.2139681842E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.3463717665E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3463717665E-02  1.2139681842E-02
  0.0000000000E+00  1.2139681842E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.4570461359E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4570461359E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.5585422631E-03

 Convertion factor = 110.20657 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -8.200  1.25241E-01  1.25241E-01  9.05735E-02  5.85316E-02  1.77642E-02  5.85316E-02  7.90231E-02
   dip-dip  7.84338E-02  7.84338E-02  7.84338E-02  4.20292E-02  5.62449E-03  4.20292E-02  5.41640E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.68077E-02  4.68077E-02  1.21397E-02  1.65024E-02  1.21397E-02  1.65024E-02  2.48591E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  4.46183E-01  3.32443E-16 -1.95872E-01 -1.45941E-16
   dip-dip -4.52781E-16  0.00000E+00 -3.71502E-16  0.00000E+00
   dip-qua  4.46183E-01  3.32443E-16 -1.95872E-01 -1.45941E-16
   qua-qua  2.17470E-16  0.00000E+00  1.28284E-16  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -8.10000 eV

 Vmoy = -16.49586 eV, Vmftabs = -19.96449 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.786E-04  7.826E-05   -1.975E-01 -8.653E-02   -3.700E-02 -1.621E-02
  1  0    1  1      1.294E-03 -1.596E-05   -3.309E-02  4.087E-04   -3.748E-03  4.638E-05
  2  0    1  1      6.131E-04 -1.309E-05   -2.564E-02  5.478E-04   -4.904E-03  1.049E-04

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2459641522E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2459641522E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.8593394121E-04

 Tensor_dq(1,ks,j2), prototypical atom
 -1.3057004515E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3057004515E-02 -3.2208139146E-03
  0.0000000000E+00 -3.2208139146E-03  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.3057004515E-02  3.2208139146E-03
  1.3057004515E-02  0.0000000000E+00  0.0000000000E+00
  3.2208139146E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0576630081E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.8885840265E-03  2.2084708653E-03
  0.0000000000E+00  2.2084708653E-03 -5.7518774532E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.0232607054E-02  2.2084708653E-03
  1.0232607054E-02  0.0000000000E+00  0.0000000000E+00
  2.2084708653E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.2084708653E-03  2.0577334467E-03
  2.2084708653E-03  0.0000000000E+00  0.0000000000E+00
  2.0577334467E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.0232607054E-02  2.2084708653E-03
  1.0232607054E-02  0.0000000000E+00  0.0000000000E+00
  2.2084708653E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -9.8885840265E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0576630081E-02 -2.2084708653E-03
  0.0000000000E+00 -2.2084708653E-03 -5.7518774532E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  2.2084708653E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2084708653E-03  2.0577334467E-03
  0.0000000000E+00  2.0577334467E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.2084708653E-03  2.0577334467E-03
  2.2084708653E-03  0.0000000000E+00  0.0000000000E+00
  2.0577334467E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.2084708653E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2084708653E-03  2.0577334467E-03
  0.0000000000E+00  2.0577334467E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.7518774532E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.7518774532E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0126880033E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3475784913E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3475784913E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9156036472E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  6.3459780484E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.9331504159E-02  1.3250825192E-02
  0.0000000000E+00  1.3250825192E-02 -3.4511264719E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.1395642321E-02  1.3250825192E-02
  6.1395642321E-02  0.0000000000E+00  0.0000000000E+00
  1.3250825192E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.3250825192E-02  1.2346400680E-02
  1.3250825192E-02  0.0000000000E+00  0.0000000000E+00
  1.2346400680E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.1395642321E-02  1.3250825192E-02
  6.1395642321E-02  0.0000000000E+00  0.0000000000E+00
  1.3250825192E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.9331504159E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.3459780484E-02 -1.3250825192E-02
  0.0000000000E+00 -1.3250825192E-02 -3.4511264719E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.3250825192E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3250825192E-02  1.2346400680E-02
  0.0000000000E+00  1.2346400680E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.3250825192E-02  1.2346400680E-02
  1.3250825192E-02  0.0000000000E+00  0.0000000000E+00
  1.2346400680E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.3250825192E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3250825192E-02  1.2346400680E-02
  0.0000000000E+00  1.2346400680E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.4511264719E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4511264719E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0761280197E-03

 Convertion factor = 110.20800 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -8.100  1.96153E-01  1.96153E-01  1.47104E-01  8.94463E-02  1.82620E-02  8.94463E-02  1.22310E-01
   dip-dip  1.34758E-01  1.34758E-01  1.34758E-01  7.03367E-02  5.91560E-03  7.03367E-02  9.18104E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.13956E-02  6.13956E-02  1.23464E-02  1.91095E-02  1.23464E-02  1.91095E-02  3.04997E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  5.32027E-01  3.96404E-16 -1.49837E-01 -1.11641E-16
   dip-dip -8.01244E-16  0.00000E+00 -6.57413E-16  0.00000E+00
   dip-qua  5.32027E-01  3.96404E-16 -1.49837E-01 -1.11641E-16
   qua-qua  1.57220E-16  0.00000E+00  1.09983E-16  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -8.00000 eV

 Vmoy = -16.49906 eV, Vmftabs = -19.96499 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      2.399E-04  2.166E-04   -2.652E-01 -2.394E-01   -4.969E-02 -4.486E-02
  1  0    1  1      1.279E-03 -1.528E-05   -3.272E-02  3.913E-04   -3.707E-03  4.441E-05
  2  0    1  1      5.998E-04 -1.243E-05   -2.508E-02  5.202E-04   -4.798E-03  9.958E-05

 iapr =  1, Z = 27, lmax = 2

 iapr =  2, Z = 27, lmax = 2

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1467494895E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1467494895E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0897337620E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -9.5253868440E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.5253868440E-03 -8.9288557283E-04
  0.0000000000E+00 -8.9288557283E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  9.5253868440E-03  8.9288557283E-04
  9.5253868440E-03  0.0000000000E+00  0.0000000000E+00
  8.9288557283E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  7.3512862052E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.7471291966E-03  5.1189093336E-04
  0.0000000000E+00  5.1189093336E-04 -5.2377469664E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.0492077009E-03  5.1189093336E-04
  7.0492077009E-03  0.0000000000E+00  0.0000000000E+00
  5.1189093336E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  5.1189093336E-04  1.5522408384E-03
  5.1189093336E-04  0.0000000000E+00  0.0000000000E+00
  1.5522408384E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.0492077009E-03  5.1189093336E-04
  7.0492077009E-03  0.0000000000E+00  0.0000000000E+00
  5.1189093336E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.7471291966E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3512862052E-03 -5.1189093336E-04
  0.0000000000E+00 -5.1189093336E-04 -5.2377469664E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  5.1189093336E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1189093336E-04  1.5522408384E-03
  0.0000000000E+00  1.5522408384E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  5.1189093336E-04  1.5522408384E-03
  5.1189093336E-04  0.0000000000E+00  0.0000000000E+00
  1.5522408384E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  5.1189093336E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1189093336E-04  1.5522408384E-03
  0.0000000000E+00  1.5522408384E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.2377469664E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.2377469664E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.6400044315E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2880496937E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2880496937E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.5384025720E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.4107717231E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0482775179E-02  3.0713456001E-03
  0.0000000000E+00  3.0713456001E-03 -3.1426481798E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.2295246205E-02  3.0713456001E-03
  4.2295246205E-02  0.0000000000E+00  0.0000000000E+00
  3.0713456001E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.0713456001E-03  9.3134450305E-03
  3.0713456001E-03  0.0000000000E+00  0.0000000000E+00
  9.3134450305E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.2295246205E-02  3.0713456001E-03
  4.2295246205E-02  0.0000000000E+00  0.0000000000E+00
  3.0713456001E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.0482775179E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4107717231E-02 -3.0713456001E-03
  0.0000000000E+00 -3.0713456001E-03 -3.1426481798E-03

 Crystal Tensor_qq(ke,je,3,2)
  3.0713456001E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0713456001E-03  9.3134450305E-03
  0.0000000000E+00  9.3134450305E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.0713456001E-03  9.3134450305E-03
  3.0713456001E-03  0.0000000000E+00  0.0000000000E+00
  9.3134450305E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.0713456001E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0713456001E-03  9.3134450305E-03
  0.0000000000E+00  9.3134450305E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.1426481798E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1426481798E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.7840026589E-03

 Convertion factor = 110.20943 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -8.000  1.71100E-01  1.71100E-01  1.38118E-01  8.17159E-02  1.58518E-02  8.17159E-02  1.09618E-01
   dip-dip  1.28805E-01  1.28805E-01  1.28805E-01  6.76717E-02  6.53840E-03  6.76717E-02  8.80494E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.22952E-02  4.22952E-02  9.31345E-03  1.40443E-02  9.31345E-03  1.40443E-02  2.15689E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.64426E-01  1.22511E-16  1.05639E-01  7.87101E-17
   dip-dip -7.60361E-16  0.00000E+00 -6.23869E-16  0.00000E+00
   dip-qua  1.64426E-01  1.22511E-16  1.05639E-01  7.87101E-17
   qua-qua -4.57665E-17  0.00000E+00  1.96556E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -7.90000 eV

 Vmoy = -16.50217 eV, Vmftabs = -19.96548 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.609E-05  4.773E-04    2.885E-02 -5.277E-01    5.403E-03 -9.887E-02
  1  0    1  1      1.266E-03 -1.464E-05   -3.237E-02  3.749E-04   -3.667E-03  4.255E-05
  2  0    1  1      5.872E-04 -1.182E-05   -2.455E-02  4.946E-04   -4.697E-03  9.467E-05

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4107450170E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4107450170E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3539739362E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -4.2684420048E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2684420048E-03  3.9161911708E-04
  0.0000000000E+00  3.9161911708E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  4.2684420048E-03 -3.9161911708E-04
  4.2684420048E-03  0.0000000000E+00  0.0000000000E+00
 -3.9161911708E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  4.4980305647E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8767959117E-03 -1.3241129681E-04
  0.0000000000E+00 -1.3241129681E-04 -5.6676210252E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.1874132382E-03 -1.3241129681E-04
  4.1874132382E-03  0.0000000000E+00  0.0000000000E+00
 -1.3241129681E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.3241129681E-04  1.2362445502E-03
 -1.3241129681E-04  0.0000000000E+00  0.0000000000E+00
  1.2362445502E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.1874132382E-03 -1.3241129681E-04
  4.1874132382E-03  0.0000000000E+00  0.0000000000E+00
 -1.3241129681E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.8767959117E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4980305647E-03  1.3241129681E-04
  0.0000000000E+00  1.3241129681E-04 -5.6676210252E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.3241129681E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3241129681E-04  1.2362445502E-03
  0.0000000000E+00  1.2362445502E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.3241129681E-04  1.2362445502E-03
 -1.3241129681E-04  0.0000000000E+00  0.0000000000E+00
  1.2362445502E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.3241129681E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3241129681E-04  1.2362445502E-03
  0.0000000000E+00  1.2362445502E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.6676210252E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6676210252E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0965149004E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.4644701023E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4644701023E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.1238436172E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.6988183388E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3260775470E-02 -7.9446778085E-04
  0.0000000000E+00 -7.9446778085E-04 -3.4005726151E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.5124479429E-02 -7.9446778085E-04
  2.5124479429E-02  0.0000000000E+00  0.0000000000E+00
 -7.9446778085E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.9446778085E-04  7.4174673013E-03
 -7.9446778085E-04  0.0000000000E+00  0.0000000000E+00
  7.4174673013E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.5124479429E-02 -7.9446778085E-04
  2.5124479429E-02  0.0000000000E+00  0.0000000000E+00
 -7.9446778085E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.3260775470E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6988183388E-02  7.9446778085E-04
  0.0000000000E+00  7.9446778085E-04 -3.4005726151E-03

 Crystal Tensor_qq(ke,je,3,2)
 -7.9446778085E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9446778085E-04  7.4174673013E-03
  0.0000000000E+00  7.4174673013E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.9446778085E-04  7.4174673013E-03
 -7.9446778085E-04  0.0000000000E+00  0.0000000000E+00
  7.4174673013E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.9446778085E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9446778085E-04  7.4174673013E-03
  0.0000000000E+00  7.4174673013E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.4005726151E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4005726151E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.5790894026E-03

 Convertion factor = 110.21086 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -7.900  1.09769E-01  1.09769E-01  9.20622E-02  5.64764E-02  1.55413E-02  5.64764E-02  7.31708E-02
   dip-dip  8.46447E-02  8.46447E-02  8.46447E-02  4.63843E-02  8.12384E-03  4.63843E-02  5.91377E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.51245E-02  2.51245E-02  7.41747E-03  1.00921E-02  7.41747E-03  1.00921E-02  1.40330E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.78995E-02 -3.56890E-17  1.64162E-01  1.22314E-16
   dip-dip -4.75880E-16  0.00000E+00 -3.90455E-16  0.00000E+00
   dip-qua -4.78995E-02 -3.56890E-17  1.64162E-01  1.22314E-16
   qua-qua -8.79706E-17  0.00000E+00 -2.90759E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -7.80000 eV

 Vmoy = -16.50515 eV, Vmftabs = -19.96597 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.337E-04  1.942E-04    2.584E-01 -2.147E-01    4.841E-02 -4.023E-02
  1  0    1  1      1.253E-03 -1.404E-05   -3.204E-02  3.595E-04   -3.629E-03  4.080E-05
  2  0    1  1      5.752E-04 -1.125E-05   -2.405E-02  4.707E-04   -4.601E-03  9.010E-05

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.7796392696E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.7796392696E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7886424332E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -1.8694826357E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8694826357E-03  3.2148299150E-04
  0.0000000000E+00  3.2148299150E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.8694826357E-03 -3.2148299150E-04
  1.8694826357E-03  0.0000000000E+00  0.0000000000E+00
 -3.2148299150E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  3.3957752762E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6644148926E-03 -9.0737700403E-05
  0.0000000000E+00 -9.0737700403E-05 -6.9999944219E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.0300950844E-03 -9.0737700403E-05
  3.0300950844E-03  0.0000000000E+00  0.0000000000E+00
 -9.0737700403E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -9.0737700403E-05  9.3793338308E-04
 -9.0737700403E-05  0.0000000000E+00  0.0000000000E+00
  9.3793338308E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.0300950844E-03 -9.0737700403E-05
  3.0300950844E-03  0.0000000000E+00  0.0000000000E+00
 -9.0737700403E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.6644148926E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3957752762E-03  9.0737700403E-05
  0.0000000000E+00  9.0737700403E-05 -6.9999944219E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -9.0737700403E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0737700403E-05  9.3793338308E-04
  0.0000000000E+00  9.3793338308E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -9.0737700403E-05  9.3793338308E-04
 -9.0737700403E-05  0.0000000000E+00  0.0000000000E+00
  9.3793338308E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -9.0737700403E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0737700403E-05  9.3793338308E-04
  0.0000000000E+00  9.3793338308E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.9999944219E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.9999944219E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4065882831E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.6677835618E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6677835618E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0731854599E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.0374651657E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5986489355E-02 -5.4442620242E-04
  0.0000000000E+00 -5.4442620242E-04 -4.1999966531E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.8180570506E-02 -5.4442620242E-04
  1.8180570506E-02  0.0000000000E+00  0.0000000000E+00
 -5.4442620242E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -5.4442620242E-04  5.6276002985E-03
 -5.4442620242E-04  0.0000000000E+00  0.0000000000E+00
  5.6276002985E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.8180570506E-02 -5.4442620242E-04
  1.8180570506E-02  0.0000000000E+00  0.0000000000E+00
 -5.4442620242E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.5986489355E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0374651657E-02  5.4442620242E-04
  0.0000000000E+00  5.4442620242E-04 -4.1999966531E-03

 Crystal Tensor_qq(ke,je,3,2)
 -5.4442620242E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4442620242E-04  5.6276002985E-03
  0.0000000000E+00  5.6276002985E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -5.4442620242E-04  5.6276002985E-03
 -5.4442620242E-04  0.0000000000E+00  0.0000000000E+00
  5.6276002985E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -5.4442620242E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4442620242E-04  5.6276002985E-03
  0.0000000000E+00  5.6276002985E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.1999966531E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.1999966531E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.4395296989E-03

 Convertion factor = 110.21229 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -7.800  6.48584E-02  6.48584E-02  5.23054E-02  3.80084E-02  1.63595E-02  3.80084E-02  4.54880E-02
   dip-dip  4.66778E-02  4.66778E-02  4.66778E-02  2.87048E-02  1.07319E-02  2.87048E-02  3.46958E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.81806E-02  1.81806E-02  5.62760E-03  9.30354E-03  5.62760E-03  9.30354E-03  1.07922E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.40083E-02 -3.27898E-17  9.40284E-02  7.00588E-17
   dip-dip -2.23550E-16  0.00000E+00 -1.83420E-16  0.00000E+00
   dip-qua -4.40083E-02 -3.27898E-17  9.40284E-02  7.00588E-17
   qua-qua -6.20506E-17  0.00000E+00 -2.05229E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -7.70000 eV

 Vmoy = -16.50806 eV, Vmftabs = -19.96645 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.707E-04  7.290E-05    1.887E-01 -8.059E-02    3.535E-02 -1.510E-02
  1  0    1  1      1.240E-03 -1.347E-05   -3.172E-02  3.449E-04   -3.593E-03  3.914E-05
  2  0    1  1      5.638E-04 -1.072E-05   -2.357E-02  4.484E-04   -4.510E-03  8.584E-05

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.4683181408E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4683181408E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4505364281E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -1.2785108352E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2785108352E-03  9.8671859712E-05
  0.0000000000E+00  9.8671859712E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.2785108352E-03 -9.8671859712E-05
  1.2785108352E-03  0.0000000000E+00  0.0000000000E+00
 -9.8671859712E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.8052538745E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8227975683E-03  1.4700574687E-07
  0.0000000000E+00  1.4700574687E-07 -9.8057842595E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.3140257214E-03  1.4700574687E-07
  2.3140257214E-03  0.0000000000E+00  0.0000000000E+00
  1.4700574687E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.4700574687E-07  7.4398718879E-04
  1.4700574687E-07  0.0000000000E+00  0.0000000000E+00
  7.4398718879E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.3140257214E-03  1.4700574687E-07
  2.3140257214E-03  0.0000000000E+00  0.0000000000E+00
  1.4700574687E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.8227975683E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8052538745E-03 -1.4700574687E-07
  0.0000000000E+00 -1.4700574687E-07 -9.8057842595E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.4700574687E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4700574687E-07  7.4398718879E-04
  0.0000000000E+00  7.4398718879E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.4700574687E-07  7.4398718879E-04
  1.4700574687E-07  0.0000000000E+00  0.0000000000E+00
  7.4398718879E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.4700574687E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4700574687E-07  7.4398718879E-04
  0.0000000000E+00  7.4398718879E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -9.8057842595E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.8057842595E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0270936334E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.6809908845E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6809908845E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4703218568E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.6831523247E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0936785410E-02  8.8203448120E-07
  0.0000000000E+00  8.8203448120E-07 -5.8834705557E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.3884154328E-02  8.8203448120E-07
  1.3884154328E-02  0.0000000000E+00  0.0000000000E+00
  8.8203448120E-07  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  8.8203448120E-07  4.4639231327E-03
  8.8203448120E-07  0.0000000000E+00  0.0000000000E+00
  4.4639231327E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.3884154328E-02  8.8203448120E-07
  1.3884154328E-02  0.0000000000E+00  0.0000000000E+00
  8.8203448120E-07  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.0936785410E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6831523247E-02 -8.8203448120E-07
  0.0000000000E+00 -8.8203448120E-07 -5.8834705557E-03

 Crystal Tensor_qq(ke,je,3,2)
  8.8203448120E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.8203448120E-07  4.4639231327E-03
  0.0000000000E+00  4.4639231327E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  8.8203448120E-07  4.4639231327E-03
  8.8203448120E-07  0.0000000000E+00  0.0000000000E+00
  4.4639231327E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  8.8203448120E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.8203448120E-07  4.4639231327E-03
  0.0000000000E+00  4.4639231327E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.8834705557E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.8834705557E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2162561801E-02

 Convertion factor = 110.21372 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -7.700  4.06941E-02  4.06941E-02  3.12738E-02  3.09468E-02  1.91671E-02  3.09468E-02  3.19054E-02
   dip-dip  2.68099E-02  2.68099E-02  2.68099E-02  2.07566E-02  1.47032E-02  2.07566E-02  2.27743E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.38842E-02  1.38842E-02  4.46392E-03  1.01903E-02  4.46392E-03  1.01903E-02  9.13102E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.14868E-02 -8.55860E-18  4.64235E-02  3.45893E-17
   dip-dip -7.52930E-17  0.00000E+00 -6.17772E-17  0.00000E+00
   dip-qua -1.14868E-02 -8.55860E-18  4.64235E-02  3.45893E-17
   qua-qua -3.62317E-17  0.00000E+00 -1.05902E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -7.60000 eV

 Vmoy = -16.51087 eV, Vmftabs = -19.96693 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.249E-04  3.601E-05    1.381E-01 -3.981E-02    2.588E-02 -7.458E-03
  1  0    1  1      1.228E-03 -1.293E-05   -3.141E-02  3.311E-04   -3.558E-03  3.758E-05
  2  0    1  1      5.529E-04 -1.022E-05   -2.312E-02  4.276E-04   -4.423E-03  8.186E-05

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.1013047714E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1013047714E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9542252372E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -1.1225310313E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1225310313E-03 -2.8545918352E-05
  0.0000000000E+00 -2.8545918352E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.1225310313E-03  2.8545918352E-05
  1.1225310313E-03  0.0000000000E+00  0.0000000000E+00
  2.8545918352E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.4681345038E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0090431154E-03  5.8900553029E-05
  0.0000000000E+00  5.8900553029E-05 -1.5033108921E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.7385888096E-03  5.8900553029E-05
  1.7385888096E-03  0.0000000000E+00  0.0000000000E+00
  5.8900553029E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  5.8900553029E-05  7.1301581824E-04
  5.8900553029E-05  0.0000000000E+00  0.0000000000E+00
  7.1301581824E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.7385888096E-03  5.8900553029E-05
  1.7385888096E-03  0.0000000000E+00  0.0000000000E+00
  5.8900553029E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.0090431154E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4681345038E-03 -5.8900553029E-05
  0.0000000000E+00 -5.8900553029E-05 -1.5033108921E-03

 Tensor_qq(ke,je,3,2), prototypical atom
  5.8900553029E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.8900553029E-05  7.1301581824E-04
  0.0000000000E+00  7.1301581824E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  5.8900553029E-05  7.1301581824E-04
  5.8900553029E-05  0.0000000000E+00  0.0000000000E+00
  7.1301581824E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  5.8900553029E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.8900553029E-05  7.1301581824E-04
  0.0000000000E+00  7.1301581824E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.5033108921E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5033108921E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1692697302E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8607828628E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8607828628E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7725351423E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.4808807023E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.0542586926E-03  3.5340331817E-04
  0.0000000000E+00  3.5340331817E-04 -9.0198653527E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.0431532858E-02  3.5340331817E-04
  1.0431532858E-02  0.0000000000E+00  0.0000000000E+00
  3.5340331817E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.5340331817E-04  4.2780949094E-03
  3.5340331817E-04  0.0000000000E+00  0.0000000000E+00
  4.2780949094E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.0431532858E-02  3.5340331817E-04
  1.0431532858E-02  0.0000000000E+00  0.0000000000E+00
  3.5340331817E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.0542586926E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4808807023E-02 -3.5340331817E-04
  0.0000000000E+00 -3.5340331817E-04 -9.0198653527E-03

 Crystal Tensor_qq(ke,je,3,2)
  3.5340331817E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5340331817E-04  4.2780949094E-03
  0.0000000000E+00  4.2780949094E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.5340331817E-04  4.2780949094E-03
  3.5340331817E-04  0.0000000000E+00  0.0000000000E+00
  4.2780949094E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.5340331817E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5340331817E-04  4.2780949094E-03
  0.0000000000E+00  4.2780949094E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -9.0198653527E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.0198653527E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9015618381E-02

 Convertion factor = 110.21516 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -7.600  2.90394E-02  2.90394E-02  2.28859E-02  3.11326E-02  2.20034E-02  3.11326E-02  2.69597E-02
   dip-dip  1.86078E-02  1.86078E-02  1.86078E-02  1.81666E-02  1.77254E-02  1.81666E-02  1.83137E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.04315E-02  1.04315E-02  4.27809E-03  1.29660E-02  4.27809E-03  1.29660E-02  8.64603E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  7.60264E-03  5.66459E-18  2.37644E-02  1.77064E-17
   dip-dip -5.48830E-18  0.00000E+00 -4.50310E-18  0.00000E+00
   dip-qua  7.60264E-03  5.66459E-18  2.37644E-02  1.77064E-17
   qua-qua -1.49940E-17  0.00000E+00 -2.96200E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -7.50000 eV

 Vmoy = -16.51361 eV, Vmftabs = -19.96741 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -9.711E-05  2.116E-05    1.074E-01 -2.339E-02    2.011E-02 -4.383E-03
  1  0    1  1      1.217E-03 -1.242E-05   -3.112E-02  3.180E-04   -3.525E-03  3.610E-05
  2  0    1  1      5.426E-04 -9.756E-06   -2.269E-02  4.081E-04   -4.340E-03  7.813E-05
  3  0    1  1      1.681E-05 -5.184E-07   -9.281E-04  2.863E-05   -2.283E-04  7.043E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 2

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.5070305918E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5070305918E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7553857873E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -1.0141830727E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0141830727E-03 -8.6183209358E-05
  0.0000000000E+00 -8.6183209358E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.0141830727E-03  8.6183209358E-05
  1.0141830727E-03  0.0000000000E+00  0.0000000000E+00
  8.6183209358E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.3979336355E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4256075876E-04  7.8987122302E-05
  0.0000000000E+00  7.8987122302E-05 -2.2655391349E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.3202471971E-03  7.8987122302E-05
  1.3202471971E-03  0.0000000000E+00  0.0000000000E+00
  7.8987122302E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  7.8987122302E-05  8.7167380184E-04
  7.8987122302E-05  0.0000000000E+00  0.0000000000E+00
  8.7167380184E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.3202471971E-03  7.8987122302E-05
  1.3202471971E-03  0.0000000000E+00  0.0000000000E+00
  7.8987122302E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.4256075876E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3979336355E-03 -7.8987122302E-05
  0.0000000000E+00 -7.8987122302E-05 -2.2655391349E-03

 Tensor_qq(ke,je,3,2), prototypical atom
  7.8987122302E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.8987122302E-05  8.7167380184E-04
  0.0000000000E+00  8.7167380184E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  7.8987122302E-05  8.7167380184E-04
  7.8987122302E-05  0.0000000000E+00  0.0000000000E+00
  8.7167380184E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.8987122302E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.8987122302E-05  8.7167380184E-04
  0.0000000000E+00  8.7167380184E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.2655391349E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2655391349E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.8349326707E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.5042183551E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5042183551E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6532314724E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.4387601813E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4553645526E-03  4.7392273381E-04
  0.0000000000E+00  4.7392273381E-04 -1.3593234810E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  7.9214831827E-03  4.7392273381E-04
  7.9214831827E-03  0.0000000000E+00  0.0000000000E+00
  4.7392273381E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.7392273381E-04  5.2300428111E-03
  4.7392273381E-04  0.0000000000E+00  0.0000000000E+00
  5.2300428111E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  7.9214831827E-03  4.7392273381E-04
  7.9214831827E-03  0.0000000000E+00  0.0000000000E+00
  4.7392273381E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.4553645526E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4387601813E-02 -4.7392273381E-04
  0.0000000000E+00 -4.7392273381E-04 -1.3593234810E-02

 Crystal Tensor_qq(ke,je,3,2)
  4.7392273381E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7392273381E-04  5.2300428111E-03
  0.0000000000E+00  5.2300428111E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.7392273381E-04  5.2300428111E-03
  4.7392273381E-04  0.0000000000E+00  0.0000000000E+00
  5.2300428111E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.7392273381E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7392273381E-04  5.2300428111E-03
  0.0000000000E+00  5.2300428111E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.3593234810E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3593234810E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9009596024E-02

 Convertion factor = 110.21659 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -7.500  2.29637E-02  2.29637E-02  2.02722E-02  3.34332E-02  2.17624E-02  3.34332E-02  2.49770E-02
   dip-dip  1.50422E-02  1.50422E-02  1.50422E-02  1.57872E-02  1.65323E-02  1.57872E-02  1.55389E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  7.92148E-03  7.92148E-03  5.23004E-03  1.76459E-02  5.23004E-03  1.76459E-02  9.43809E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.61435E-02  1.20283E-17  1.25592E-02  9.35766E-18
   dip-dip  9.26755E-18  0.00000E+00  7.60394E-18  0.00000E+00
   dip-qua  1.61435E-02  1.20283E-17  1.25592E-02  9.35766E-18
   qua-qua  8.90813E-19  0.00000E+00  1.95551E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -7.40000 eV

 Vmoy = -16.51628 eV, Vmftabs = -19.96789 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -7.901E-05  1.386E-05    8.735E-02 -1.532E-02    1.636E-02 -2.870E-03
  1  0    1  1      1.206E-03 -1.193E-05   -3.084E-02  3.056E-04   -3.493E-03  3.470E-05
  2  0    1  1      5.327E-04 -9.320E-06   -2.227E-02  3.899E-04   -4.261E-03  7.464E-05
  3  0    1  1      1.630E-05 -4.916E-07   -8.998E-04  2.715E-05   -2.213E-04  6.679E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2428393988E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2428393988E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3235233985E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -9.2793477893E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2793477893E-04 -1.0079160244E-04
  0.0000000000E+00 -1.0079160244E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  9.2793477893E-04  1.0079160244E-04
  9.2793477893E-04  0.0000000000E+00  0.0000000000E+00
  1.0079160244E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.2375343620E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0125601135E-04  4.0439803196E-05
  0.0000000000E+00  4.0439803196E-05 -2.5909822633E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.0181391753E-03  4.0439803196E-05
  1.0181391753E-03  0.0000000000E+00  0.0000000000E+00
  4.0439803196E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  4.0439803196E-05  1.2502398281E-03
  4.0439803196E-05  0.0000000000E+00  0.0000000000E+00
  1.2502398281E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.0181391753E-03  4.0439803196E-05
  1.0181391753E-03  0.0000000000E+00  0.0000000000E+00
  4.0439803196E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.0125601135E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2375343620E-03 -4.0439803196E-05
  0.0000000000E+00 -4.0439803196E-05 -2.5909822633E-03

 Tensor_qq(ke,je,3,2), prototypical atom
  4.0439803196E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0439803196E-05  1.2502398281E-03
  0.0000000000E+00  1.2502398281E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  4.0439803196E-05  1.2502398281E-03
  4.0439803196E-05  0.0000000000E+00  0.0000000000E+00
  1.2502398281E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.0439803196E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0439803196E-05  1.2502398281E-03
  0.0000000000E+00  1.2502398281E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.5909822633E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5909822633E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.5772974937E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3457036393E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3457036393E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3941140391E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.3425206172E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2075360681E-03  2.4263881917E-04
  0.0000000000E+00  2.4263881917E-04 -1.5545893580E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.1088350520E-03  2.4263881917E-04
  6.1088350520E-03  0.0000000000E+00  0.0000000000E+00
  2.4263881917E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.4263881917E-04  7.5014389683E-03
  2.4263881917E-04  0.0000000000E+00  0.0000000000E+00
  7.5014389683E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.1088350520E-03  2.4263881917E-04
  6.1088350520E-03  0.0000000000E+00  0.0000000000E+00
  2.4263881917E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.2075360681E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3425206172E-02 -2.4263881917E-04
  0.0000000000E+00 -2.4263881917E-04 -1.5545893580E-02

 Crystal Tensor_qq(ke,je,3,2)
  2.4263881917E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4263881917E-04  7.5014389683E-03
  0.0000000000E+00  7.5014389683E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.4263881917E-04  7.5014389683E-03
  2.4263881917E-04  0.0000000000E+00  0.0000000000E+00
  7.5014389683E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.4263881917E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4263881917E-04  7.5014389683E-03
  0.0000000000E+00  7.5014389683E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.5545893580E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5545893580E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3463784962E-02

 Convertion factor = 110.21802 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -7.400  1.95659E-02  1.95659E-02  2.09585E-02  3.31943E-02  2.14426E-02  3.31943E-02  2.38540E-02
   dip-dip  1.34570E-02  1.34570E-02  1.34570E-02  1.36991E-02  1.39411E-02  1.36991E-02  1.36184E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.10884E-03  6.10884E-03  7.50144E-03  1.94952E-02  7.50144E-03  1.94952E-02  1.02356E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.81399E-02  1.35157E-17  8.25412E-03  6.15000E-18
   dip-dip  3.01082E-18  0.00000E+00  2.47035E-18  0.00000E+00
   dip-qua  1.81399E-02  1.35157E-17  8.25412E-03  6.15000E-18
   qua-qua  1.04090E-17  0.00000E+00  3.53638E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -7.30000 eV

 Vmoy = -16.51890 eV, Vmftabs = -19.96836 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.642E-05  9.755E-06    7.343E-02 -1.078E-02    1.376E-02 -2.021E-03
  1  0    1  1      1.195E-03 -1.147E-05   -3.057E-02  2.939E-04   -3.463E-03  3.336E-05
  2  0    1  1      5.232E-04 -8.911E-06   -2.188E-02  3.728E-04   -4.185E-03  7.137E-05
  3  0    1  1      1.581E-05 -4.667E-07   -8.729E-04  2.577E-05   -2.147E-04  6.341E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1074607446E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1074607446E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9730042600E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -8.4277878343E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4277878343E-04 -5.2516709842E-05
  0.0000000000E+00 -5.2516709842E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  8.4277878343E-04  5.2516709842E-05
  8.4277878343E-04  0.0000000000E+00  0.0000000000E+00
  5.2516709842E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.7397508545E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2196354464E-04 -8.4270710434E-05
  0.0000000000E+00 -8.4270710434E-05 -1.9827860835E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.0889365491E-04 -8.4270710434E-05
  8.0889365491E-04  0.0000000000E+00  0.0000000000E+00
 -8.4270710434E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -8.4270710434E-05  1.8819090733E-03
 -8.4270710434E-05  0.0000000000E+00  0.0000000000E+00
  1.8819090733E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.0889365491E-04 -8.4270710434E-05
  8.0889365491E-04  0.0000000000E+00  0.0000000000E+00
 -8.4270710434E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.2196354464E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7397508545E-03  8.4270710434E-05
  0.0000000000E+00  8.4270710434E-05 -1.9827860835E-03

 Tensor_qq(ke,je,3,2), prototypical atom
 -8.4270710434E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4270710434E-05  1.8819090733E-03
  0.0000000000E+00  1.8819090733E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -8.4270710434E-05  1.8819090733E-03
 -8.4270710434E-05  0.0000000000E+00  0.0000000000E+00
  1.8819090733E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -8.4270710434E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4270710434E-05  1.8819090733E-03
  0.0000000000E+00  1.8819090733E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.9827860835E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9827860835E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2951215969E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2644764468E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2644764468E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1838025560E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.0438505127E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3178126783E-04 -5.0562426261E-04
  0.0000000000E+00 -5.0562426261E-04 -1.1896716501E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.8533619295E-03 -5.0562426261E-04
  4.8533619295E-03  0.0000000000E+00  0.0000000000E+00
 -5.0562426261E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -5.0562426261E-04  1.1291454440E-02
 -5.0562426261E-04  0.0000000000E+00  0.0000000000E+00
  1.1291454440E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.8533619295E-03 -5.0562426261E-04
  4.8533619295E-03  0.0000000000E+00  0.0000000000E+00
 -5.0562426261E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  7.3178126783E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0438505127E-02  5.0562426261E-04
  0.0000000000E+00  5.0562426261E-04 -1.1896716501E-02

 Crystal Tensor_qq(ke,je,3,2)
 -5.0562426261E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0562426261E-04  1.1291454440E-02
  0.0000000000E+00  1.1291454440E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -5.0562426261E-04  1.1291454440E-02
 -5.0562426261E-04  0.0000000000E+00  0.0000000000E+00
  1.1291454440E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -5.0562426261E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0562426261E-04  1.1291454440E-02
  0.0000000000E+00  1.1291454440E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.1896716501E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1896716501E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5770729582E-02

 Convertion factor = 110.21945 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -7.300  1.74981E-02  1.74981E-02  2.39362E-02  2.72421E-02  2.31295E-02  2.72421E-02  2.25104E-02
   dip-dip  1.26448E-02  1.26448E-02  1.26448E-02  1.22414E-02  1.18380E-02  1.22414E-02  1.23759E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.85336E-03  4.85336E-03  1.12915E-02  1.50007E-02  1.12915E-02  1.50007E-02  1.01345E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.04821E-02  7.80999E-18  1.32555E-02  9.87647E-18
   dip-dip -5.01747E-18  0.00000E+00 -4.11679E-18  0.00000E+00
   dip-qua  1.04821E-02  7.80999E-18  1.32555E-02  9.87647E-18
   qua-qua  1.09213E-17  0.00000E+00  4.05212E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -7.20000 eV

 Vmoy = -16.52143 eV, Vmftabs = -19.96883 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.722E-05  7.235E-06    6.326E-02 -7.999E-03    1.185E-02 -1.499E-03
  1  0    1  1      1.185E-03 -1.104E-05   -3.032E-02  2.827E-04   -3.434E-03  3.210E-05
  2  0    1  1      5.142E-04 -8.526E-06   -2.150E-02  3.567E-04   -4.113E-03  6.829E-05
  3  0    1  1      1.535E-05 -4.435E-07   -8.475E-04  2.449E-05   -2.084E-04  6.026E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.0049474281E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0049474281E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7278544324E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -7.5582897556E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5582897556E-04  7.7470911768E-05
  0.0000000000E+00  7.7470911768E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  7.5582897556E-04 -7.7470911768E-05
  7.5582897556E-04  0.0000000000E+00  0.0000000000E+00
 -7.7470911768E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2625386571E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.9227362926E-05 -3.1006015574E-04
  0.0000000000E+00 -3.1006015574E-04 -1.2656975206E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.6588301000E-04 -3.1006015574E-04
  6.6588301000E-04  0.0000000000E+00  0.0000000000E+00
 -3.1006015574E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -3.1006015574E-04  2.7533231103E-03
 -3.1006015574E-04  0.0000000000E+00  0.0000000000E+00
  2.7533231103E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.6588301000E-04 -3.1006015574E-04
  6.6588301000E-04  0.0000000000E+00  0.0000000000E+00
 -3.1006015574E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.9227362926E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2625386571E-03  3.1006015574E-04
  0.0000000000E+00  3.1006015574E-04 -1.2656975206E-03

 Tensor_qq(ke,je,3,2), prototypical atom
 -3.1006015574E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1006015574E-04  2.7533231103E-03
  0.0000000000E+00  2.7533231103E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -3.1006015574E-04  2.7533231103E-03
 -3.1006015574E-04  0.0000000000E+00  0.0000000000E+00
  2.7533231103E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -3.1006015574E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1006015574E-04  2.7533231103E-03
  0.0000000000E+00  2.7533231103E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.2656975206E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2656975206E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7560570237E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2029684569E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2029684569E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0367126595E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  7.5752319425E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.1536417755E-04 -1.8603609344E-03
  0.0000000000E+00 -1.8603609344E-03 -7.5941851233E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.9952980600E-03 -1.8603609344E-03
  3.9952980600E-03  0.0000000000E+00  0.0000000000E+00
 -1.8603609344E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.8603609344E-03  1.6519938662E-02
 -1.8603609344E-03  0.0000000000E+00  0.0000000000E+00
  1.6519938662E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.9952980600E-03 -1.8603609344E-03
  3.9952980600E-03  0.0000000000E+00  0.0000000000E+00
 -1.8603609344E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.1536417755E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5752319425E-03  1.8603609344E-03
  0.0000000000E+00  1.8603609344E-03 -7.5941851233E-03

 Crystal Tensor_qq(ke,je,3,2)
 -1.8603609344E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8603609344E-03  1.6519938662E-02
  0.0000000000E+00  1.6519938662E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.8603609344E-03  1.6519938662E-02
 -1.8603609344E-03  0.0000000000E+00  0.0000000000E+00
  1.6519938662E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.8603609344E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8603609344E-03  1.6519938662E-02
  0.0000000000E+00  1.6519938662E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -7.5941851233E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.5941851233E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6536342142E-02

 Convertion factor = 110.22088 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -7.200  1.60250E-02  1.60250E-02  2.85496E-02  2.10234E-02  2.68871E-02  2.10234E-02  2.20352E-02
   dip-dip  1.20297E-02  1.20297E-02  1.20297E-02  1.11984E-02  1.03671E-02  1.11984E-02  1.14755E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.99530E-03  3.99530E-03  1.65199E-02  9.82499E-03  1.65199E-02  9.82499E-03  1.05597E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -9.73040E-03 -7.24994E-18  3.02706E-02  2.25540E-17
   dip-dip -1.03403E-17  0.00000E+00 -8.48414E-18  0.00000E+00
   dip-qua -9.73040E-03 -7.24994E-18  3.02706E-02  2.25540E-17
   qua-qua -1.49740E-19  0.00000E+00 -8.91292E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -7.10000 eV

 Vmoy = -16.52393 eV, Vmftabs = -19.96930 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.021E-05  5.577E-06    5.551E-02 -6.166E-03    1.040E-02 -1.155E-03
  1  0    1  1      1.176E-03 -1.062E-05   -3.007E-02  2.721E-04   -3.406E-03  3.089E-05
  2  0    1  1      5.055E-04 -8.165E-06   -2.114E-02  3.416E-04   -4.043E-03  6.540E-05
  3  0    1  1      1.491E-05 -4.219E-07   -8.233E-04  2.330E-05   -2.025E-04  5.733E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.9039860346E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9039860346E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5602456268E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -6.7666614936E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.7666614936E-04  2.9035650291E-04
  0.0000000000E+00  2.9035650291E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  6.7666614936E-04 -2.9035650291E-04
  6.7666614936E-04  0.0000000000E+00  0.0000000000E+00
 -2.9035650291E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  9.6692902565E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9570914488E-04 -6.1741291239E-04
  0.0000000000E+00 -6.1741291239E-04 -8.1032648363E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.8131908527E-04 -6.1741291239E-04
  5.8131908527E-04  0.0000000000E+00  0.0000000000E+00
 -6.1741291239E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -6.1741291239E-04  3.8442281667E-03
 -6.1741291239E-04  0.0000000000E+00  0.0000000000E+00
  3.8442281667E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.8131908527E-04 -6.1741291239E-04
  5.8131908527E-04  0.0000000000E+00  0.0000000000E+00
 -6.1741291239E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.9570914488E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.6692902565E-04  6.1741291239E-04
  0.0000000000E+00  6.1741291239E-04 -8.1032648363E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -6.1741291239E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1741291239E-04  3.8442281667E-03
  0.0000000000E+00  3.8442281667E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -6.1741291239E-04  3.8442281667E-03
 -6.1741291239E-04  0.0000000000E+00  0.0000000000E+00
  3.8442281667E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -6.1741291239E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1741291239E-04  3.8442281667E-03
  0.0000000000E+00  3.8442281667E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -8.1032648363E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.1032648363E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7732521093E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.1423916207E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1423916207E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.3614737608E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  5.8015741539E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1742548693E-03 -3.7044774744E-03
  0.0000000000E+00 -3.7044774744E-03 -4.8619589018E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.4879145116E-03 -3.7044774744E-03
  3.4879145116E-03  0.0000000000E+00  0.0000000000E+00
 -3.7044774744E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.7044774744E-03  2.3065369000E-02
 -3.7044774744E-03  0.0000000000E+00  0.0000000000E+00
  2.3065369000E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.4879145116E-03 -3.7044774744E-03
  3.4879145116E-03  0.0000000000E+00  0.0000000000E+00
 -3.7044774744E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.1742548693E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8015741539E-03  3.7044774744E-03
  0.0000000000E+00  3.7044774744E-03 -4.8619589018E-03

 Crystal Tensor_qq(ke,je,3,2)
 -3.7044774744E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7044774744E-03  2.3065369000E-02
  0.0000000000E+00  2.3065369000E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.7044774744E-03  2.3065369000E-02
 -3.7044774744E-03  0.0000000000E+00  0.0000000000E+00
  2.3065369000E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.7044774744E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7044774744E-03  2.3065369000E-02
  0.0000000000E+00  2.3065369000E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.8619589018E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.8619589018E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0639512656E-02

 Convertion factor = 110.22231 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -7.100  1.49118E-02  1.49118E-02  3.44893E-02  1.69339E-02  3.24268E-02  1.69339E-02  2.28696E-02
   dip-dip  1.14239E-02  1.14239E-02  1.14239E-02  1.03927E-02  9.36147E-03  1.03927E-02  1.07364E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.48791E-03  3.48791E-03  2.30654E-02  6.54125E-03  2.30654E-02  6.54125E-03  1.21331E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.26525E-02 -3.17796E-17  5.97133E-02  4.44913E-17
   dip-dip -1.28276E-17  0.00000E+00 -1.05249E-17  0.00000E+00
   dip-qua -4.26525E-02 -3.17796E-17  5.97133E-02  4.44913E-17
   qua-qua -2.03117E-17  0.00000E+00 -2.32697E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -7.00000 eV

 Vmoy = -16.52638 eV, Vmftabs = -19.96977 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.470E-05  4.428E-06    4.942E-02 -4.895E-03    9.258E-03 -9.173E-04
  1  0    1  1      1.167E-03 -1.023E-05   -2.984E-02  2.620E-04   -3.379E-03  2.975E-05
  2  0    1  1      4.973E-04 -7.825E-06   -2.079E-02  3.274E-04   -3.977E-03  6.268E-05
  3  0    1  1      1.450E-05 -4.018E-07   -8.002E-04  2.219E-05   -1.968E-04  5.459E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.8164273443E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8164273443E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4434338392E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -6.2316016549E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2316016549E-04  5.7919361608E-04
  0.0000000000E+00  5.7919361608E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  6.2316016549E-04 -5.7919361608E-04
  6.2316016549E-04  0.0000000000E+00  0.0000000000E+00
 -5.7919361608E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  8.1181294019E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8383992179E-04 -9.7858404744E-04
  0.0000000000E+00 -9.7858404744E-04 -5.4714038303E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.4782643099E-04 -9.7858404744E-04
  5.4782643099E-04  0.0000000000E+00  0.0000000000E+00
 -9.7858404744E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -9.7858404744E-04  5.1923082887E-03
 -9.7858404744E-04  0.0000000000E+00  0.0000000000E+00
  5.1923082887E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.4782643099E-04 -9.7858404744E-04
  5.4782643099E-04  0.0000000000E+00  0.0000000000E+00
 -9.7858404744E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.8383992179E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.1181294019E-04  9.7858404744E-04
  0.0000000000E+00  9.7858404744E-04 -5.4714038303E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -9.7858404744E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.7858404744E-04  5.1923082887E-03
  0.0000000000E+00  5.1923082887E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -9.7858404744E-04  5.1923082887E-03
 -9.7858404744E-04  0.0000000000E+00  0.0000000000E+00
  5.1923082887E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -9.7858404744E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.7858404744E-04  5.1923082887E-03
  0.0000000000E+00  5.1923082887E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.4714038303E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.4714038303E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2036748338E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0898564066E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0898564066E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.6606030354E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.8708776412E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7030395308E-03 -5.8715042846E-03
  0.0000000000E+00 -5.8715042846E-03 -3.2828422982E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.2869585860E-03 -5.8715042846E-03
  3.2869585860E-03  0.0000000000E+00  0.0000000000E+00
 -5.8715042846E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -5.8715042846E-03  3.1153849732E-02
 -5.8715042846E-03  0.0000000000E+00  0.0000000000E+00
  3.1153849732E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.2869585860E-03 -5.8715042846E-03
  3.2869585860E-03  0.0000000000E+00  0.0000000000E+00
 -5.8715042846E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.7030395308E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8708776412E-03  5.8715042846E-03
  0.0000000000E+00  5.8715042846E-03 -3.2828422982E-03

 Crystal Tensor_qq(ke,je,3,2)
 -5.8715042846E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8715042846E-03  3.1153849732E-02
  0.0000000000E+00  3.1153849732E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -5.8715042846E-03  3.1153849732E-02
 -5.8715042846E-03  0.0000000000E+00  0.0000000000E+00
  3.1153849732E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -5.8715042846E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8715042846E-03  3.1153849732E-02
  0.0000000000E+00  3.1153849732E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.2828422982E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2828422982E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.2220490030E-03

 Convertion factor = 110.22374 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -7.000  1.41855E-02  1.41855E-02  4.20524E-02  1.44442E-02  3.98145E-02  1.44442E-02  2.49537E-02
   dip-dip  1.08986E-02  1.08986E-02  1.08986E-02  9.77958E-03  8.66060E-03  9.77958E-03  1.01526E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.28696E-03  3.28696E-03  3.11538E-02  4.66465E-03  3.11538E-02  4.66465E-03  1.48011E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -8.71668E-02 -6.49464E-17  1.01005E-01  7.52567E-17
   dip-dip -1.39194E-17  0.00000E+00 -1.14208E-17  0.00000E+00
   dip-qua -8.71668E-02 -6.49464E-17  1.01005E-01  7.52567E-17
   qua-qua -4.41521E-17  0.00000E+00 -4.02652E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -6.90000 eV

 Vmoy = -16.52875 eV, Vmftabs = -19.97023 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.026E-05  3.602E-06    4.451E-02 -3.982E-03    8.340E-03 -7.461E-04
  1  0    1  1      1.158E-03 -9.851E-06   -2.961E-02  2.523E-04   -3.354E-03  2.865E-05
  2  0    1  1      4.893E-04 -7.504E-06   -2.046E-02  3.139E-04   -3.914E-03  6.011E-05
  3  0    1  1      1.410E-05 -3.829E-07   -7.783E-04  2.115E-05   -1.914E-04  5.203E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.7541050253E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7541050253E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3597979895E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -5.9021845882E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9021845882E-04  8.6206783883E-04
  0.0000000000E+00  8.6206783883E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  5.9021845882E-04 -8.6206783883E-04
  5.9021845882E-04  0.0000000000E+00  0.0000000000E+00
 -8.6206783883E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  7.2196678545E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3900848034E-04 -1.2627101762E-03
  0.0000000000E+00 -1.2627101762E-03 -3.8996992371E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.3048763290E-04 -1.2627101762E-03
  5.3048763290E-04  0.0000000000E+00  0.0000000000E+00
 -1.2627101762E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.2627101762E-03  6.2792804598E-03
 -1.2627101762E-03  0.0000000000E+00  0.0000000000E+00
  6.2792804598E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.3048763290E-04 -1.2627101762E-03
  5.3048763290E-04  0.0000000000E+00  0.0000000000E+00
 -1.2627101762E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.3900848034E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2196678545E-04  1.2627101762E-03
  0.0000000000E+00  1.2627101762E-03 -3.8996992371E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.2627101762E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2627101762E-03  6.2792804598E-03
  0.0000000000E+00  6.2792804598E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.2627101762E-03  6.2792804598E-03
 -1.2627101762E-03  0.0000000000E+00  0.0000000000E+00
  6.2792804598E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.2627101762E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2627101762E-03  6.2792804598E-03
  0.0000000000E+00  6.2792804598E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.8996992371E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8996992371E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.6311196948E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0524630152E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0524630152E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.1587879370E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.3318007127E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0340508821E-03 -7.5762610573E-03
  0.0000000000E+00 -7.5762610573E-03 -2.3398195423E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.1829257974E-03 -7.5762610573E-03
  3.1829257974E-03  0.0000000000E+00  0.0000000000E+00
 -7.5762610573E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.5762610573E-03  3.7675682759E-02
 -7.5762610573E-03  0.0000000000E+00  0.0000000000E+00
  3.7675682759E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.1829257974E-03 -7.5762610573E-03
  3.1829257974E-03  0.0000000000E+00  0.0000000000E+00
 -7.5762610573E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.0340508821E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3318007127E-03  7.5762610573E-03
  0.0000000000E+00  7.5762610573E-03 -2.3398195423E-03

 Crystal Tensor_qq(ke,je,3,2)
 -7.5762610573E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5762610573E-03  3.7675682759E-02
  0.0000000000E+00  3.7675682759E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.5762610573E-03  3.7675682759E-02
 -7.5762610573E-03  0.0000000000E+00  0.0000000000E+00
  3.7675682759E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.5762610573E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5762610573E-03  3.7675682759E-02
  0.0000000000E+00  3.7675682759E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.3398195423E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3398195423E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.1786718169E-03

 Convertion factor = 110.22517 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -6.900  1.37076E-02  1.37076E-02  4.82003E-02  1.28892E-02  4.58345E-02  1.28892E-02  2.68133E-02
   dip-dip  1.05246E-02  1.05246E-02  1.05246E-02  9.34171E-03  8.15879E-03  9.34171E-03  9.73602E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.18293E-03  3.18293E-03  3.76757E-02  3.54753E-03  3.76757E-02  3.54753E-03  1.70773E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.30707E-01 -9.73877E-17  1.41930E-01  1.05749E-16
   dip-dip -1.47150E-17  0.00000E+00 -1.20735E-17  0.00000E+00
   dip-qua -1.30707E-01 -9.73877E-17  1.41930E-01  1.05749E-16
   qua-qua -6.25300E-17  0.00000E+00 -5.35389E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -6.80000 eV

 Vmoy = -16.53105 eV, Vmftabs = -19.97069 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.662E-05  2.986E-06    4.048E-02 -3.302E-03    7.585E-03 -6.187E-04
  1  0    1  1      1.149E-03 -9.491E-06   -2.939E-02  2.431E-04   -3.329E-03  2.761E-05
  2  0    1  1      4.817E-04 -7.201E-06   -2.014E-02  3.013E-04   -3.853E-03  5.768E-05
  3  0    1  1      1.372E-05 -3.653E-07   -7.574E-04  2.017E-05   -1.863E-04  4.964E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.6827673499E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6827673499E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2983889447E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -5.2400490790E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2400490790E-04  8.8608736951E-04
  0.0000000000E+00  8.8608736951E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  5.2400490790E-04 -8.8608736951E-04
  5.2400490790E-04  0.0000000000E+00  0.0000000000E+00
 -8.8608736951E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  6.0078289992E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0929001515E-04 -1.1690480663E-03
  0.0000000000E+00 -1.1690480663E-03 -2.9072676492E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.5503645754E-04 -1.1690480663E-03
  4.5503645754E-04  0.0000000000E+00  0.0000000000E+00
 -1.1690480663E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.1690480663E-03  5.7167657901E-03
 -1.1690480663E-03  0.0000000000E+00  0.0000000000E+00
  5.7167657901E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.5503645754E-04 -1.1690480663E-03
  4.5503645754E-04  0.0000000000E+00  0.0000000000E+00
 -1.1690480663E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.0929001515E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.0078289992E-04  1.1690480663E-03
  0.0000000000E+00  1.1690480663E-03 -2.9072676492E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.1690480663E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1690480663E-03  5.7167657901E-03
  0.0000000000E+00  5.7167657901E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.1690480663E-03  5.7167657901E-03
 -1.1690480663E-03  0.0000000000E+00  0.0000000000E+00
  5.7167657901E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.1690480663E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1690480663E-03  5.7167657901E-03
  0.0000000000E+00  5.7167657901E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.9072676492E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9072676492E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.4804052700E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0096604099E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0096604099E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7903336681E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  3.6046973995E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8557400909E-03 -7.0142883979E-03
  0.0000000000E+00 -7.0142883979E-03 -1.7443605895E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.7302187452E-03 -7.0142883979E-03
  2.7302187452E-03  0.0000000000E+00  0.0000000000E+00
 -7.0142883979E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.0142883979E-03  3.4300594740E-02
 -7.0142883979E-03  0.0000000000E+00  0.0000000000E+00
  3.4300594740E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.7302187452E-03 -7.0142883979E-03
  2.7302187452E-03  0.0000000000E+00  0.0000000000E+00
 -7.0142883979E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.8557400909E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6046973995E-03  7.0142883979E-03
  0.0000000000E+00  7.0142883979E-03 -1.7443605895E-03

 Crystal Tensor_qq(ke,je,3,2)
 -7.0142883979E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.0142883979E-03  3.4300594740E-02
  0.0000000000E+00  3.4300594740E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.0142883979E-03  3.4300594740E-02
 -7.0142883979E-03  0.0000000000E+00  0.0000000000E+00
  3.4300594740E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.0142883979E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.0142883979E-03  3.4300594740E-02
  0.0000000000E+00  3.4300594740E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.7443605895E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7443605895E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8882431620E-03

 Convertion factor = 110.22660 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -6.800  1.28268E-02  1.28268E-02  4.43972E-02  1.16889E-02  4.20909E-02  1.16889E-02  2.46903E-02
   dip-dip  1.00966E-02  1.00966E-02  1.00966E-02  8.94347E-03  7.79033E-03  8.94347E-03  9.32785E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.73022E-03  2.73022E-03  3.43006E-02  2.74542E-03  3.43006E-02  2.74542E-03  1.53624E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.34588E-01 -1.00279E-16  1.43826E-01  1.07162E-16
   dip-dip -1.43447E-17  0.00000E+00 -1.17697E-17  0.00000E+00
   dip-qua -1.34588E-01 -1.00279E-16  1.43826E-01  1.07162E-16
   qua-qua -5.92757E-17  0.00000E+00 -4.99635E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -6.70000 eV

 Vmoy = -16.53328 eV, Vmftabs = -19.97115 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.357E-05  2.517E-06    3.711E-02 -2.782E-03    6.953E-03 -5.213E-04
  1  0    1  1      1.141E-03 -9.147E-06   -2.919E-02  2.343E-04   -3.306E-03  2.661E-05
  2  0    1  1      4.744E-04 -6.915E-06   -1.983E-02  2.893E-04   -3.794E-03  5.539E-05
  3  0    1  1      1.336E-05 -3.488E-07   -7.375E-04  1.926E-05   -1.814E-04  4.739E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5901599212E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5901599212E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2523829366E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -4.2199488474E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2199488474E-04  6.5915397063E-04
  0.0000000000E+00  6.5915397063E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  4.2199488474E-04 -6.5915397063E-04
  4.2199488474E-04  0.0000000000E+00  0.0000000000E+00
 -6.5915397063E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  4.5239381739E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2176798485E-04 -8.0310933986E-04
  0.0000000000E+00 -8.0310933986E-04 -2.2462607901E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.3708090112E-04 -8.0310933986E-04
  3.3708090112E-04  0.0000000000E+00  0.0000000000E+00
 -8.0310933986E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -8.0310933986E-04  3.9497025260E-03
 -8.0310933986E-04  0.0000000000E+00  0.0000000000E+00
  3.9497025260E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.3708090112E-04 -8.0310933986E-04
  3.3708090112E-04  0.0000000000E+00  0.0000000000E+00
 -8.0310933986E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.2176798485E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5239381739E-04  8.0310933986E-04
  0.0000000000E+00  8.0310933986E-04 -2.2462607901E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -8.0310933986E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0310933986E-04  3.9497025260E-03
  0.0000000000E+00  3.9497025260E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -8.0310933986E-04  3.9497025260E-03
 -8.0310933986E-04  0.0000000000E+00  0.0000000000E+00
  3.9497025260E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -8.0310933986E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0310933986E-04  3.9497025260E-03
  0.0000000000E+00  3.9497025260E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.2462607901E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2462607901E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.0491288463E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.5409595271E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.5409595271E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.5142976196E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.7143629043E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3306079091E-03 -4.8186560391E-03
  0.0000000000E+00 -4.8186560391E-03 -1.3477564740E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.0224854067E-03 -4.8186560391E-03
  2.0224854067E-03  0.0000000000E+00  0.0000000000E+00
 -4.8186560391E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.8186560391E-03  2.3698215156E-02
 -4.8186560391E-03  0.0000000000E+00  0.0000000000E+00
  2.3698215156E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.0224854067E-03 -4.8186560391E-03
  2.0224854067E-03  0.0000000000E+00  0.0000000000E+00
 -4.8186560391E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.3306079091E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7143629043E-03  4.8186560391E-03
  0.0000000000E+00  4.8186560391E-03 -1.3477564740E-03

 Crystal Tensor_qq(ke,je,3,2)
 -4.8186560391E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8186560391E-03  2.3698215156E-02
  0.0000000000E+00  2.3698215156E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.8186560391E-03  2.3698215156E-02
 -4.8186560391E-03  0.0000000000E+00  0.0000000000E+00
  2.3698215156E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.8186560391E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8186560391E-03  2.3698215156E-02
  0.0000000000E+00  2.3698215156E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.3477564740E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3477564740E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0294773078E-03

 Convertion factor = 110.22804 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -6.700  1.15634E-02  1.15634E-02  3.32392E-02  1.06375E-02  3.12125E-02  1.06375E-02  1.95815E-02
   dip-dip  9.54096E-03  9.54096E-03  9.54096E-03  8.52763E-03  7.51430E-03  8.52763E-03  8.86541E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.02249E-03  2.02249E-03  2.36982E-02  2.10984E-03  2.36982E-02  2.10984E-03  1.07161E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.00028E-01 -7.45291E-17  1.07795E-01  8.03159E-17
   dip-dip -1.26057E-17  0.00000E+00 -1.03429E-17  0.00000E+00
   dip-qua -1.00028E-01 -7.45291E-17  1.07795E-01  8.03159E-17
   qua-qua -4.07772E-17  0.00000E+00 -3.43447E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -6.60000 eV

 Vmoy = -16.53546 eV, Vmftabs = -19.97160 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.099E-05  2.150E-06    3.426E-02 -2.377E-03    6.418E-03 -4.453E-04
  1  0    1  1      1.133E-03 -8.818E-06   -2.899E-02  2.259E-04   -3.283E-03  2.566E-05
  2  0    1  1      4.674E-04 -6.644E-06   -1.954E-02  2.780E-04   -3.738E-03  5.323E-05
  3  0    1  1      1.302E-05 -3.333E-07   -7.185E-04  1.841E-05   -1.767E-04  4.529E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5111753442E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5111753442E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2174086308E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -3.3456718209E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3456718209E-04  4.3687331718E-04
  0.0000000000E+00  4.3687331718E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.3456718209E-04 -4.3687331718E-04
  3.3456718209E-04  0.0000000000E+00  0.0000000000E+00
 -4.3687331718E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  3.3823887176E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5001554549E-04 -5.0108049561E-04
  0.0000000000E+00 -5.0108049561E-04 -1.7853631190E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.4412720862E-04 -5.0108049561E-04
  2.4412720862E-04  0.0000000000E+00  0.0000000000E+00
 -5.0108049561E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -5.0108049561E-04  2.5005689687E-03
 -5.0108049561E-04  0.0000000000E+00  0.0000000000E+00
  2.5005689687E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.4412720862E-04 -5.0108049561E-04
  2.4412720862E-04  0.0000000000E+00  0.0000000000E+00
 -5.0108049561E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.5001554549E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3823887176E-04  5.0108049561E-04
  0.0000000000E+00  5.0108049561E-04 -1.7853631190E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -5.0108049561E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0108049561E-04  2.5005689687E-03
  0.0000000000E+00  2.5005689687E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -5.0108049561E-04  2.5005689687E-03
 -5.0108049561E-04  0.0000000000E+00  0.0000000000E+00
  2.5005689687E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -5.0108049561E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0108049561E-04  2.5005689687E-03
  0.0000000000E+00  2.5005689687E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.7853631190E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7853631190E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0529173547E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.0670520654E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0670520654E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.3044517848E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.0294332305E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.0009327294E-04 -3.0064829737E-03
  0.0000000000E+00 -3.0064829737E-03 -1.0712178714E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.4647632517E-03 -3.0064829737E-03
  1.4647632517E-03  0.0000000000E+00  0.0000000000E+00
 -3.0064829737E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.0064829737E-03  1.5003413812E-02
 -3.0064829737E-03  0.0000000000E+00  0.0000000000E+00
  1.5003413812E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.4647632517E-03 -3.0064829737E-03
  1.4647632517E-03  0.0000000000E+00  0.0000000000E+00
 -3.0064829737E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -9.0009327294E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0294332305E-03  3.0064829737E-03
  0.0000000000E+00  3.0064829737E-03 -1.0712178714E-03

 Crystal Tensor_qq(ke,je,3,2)
 -3.0064829737E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0064829737E-03  1.5003413812E-02
  0.0000000000E+00  1.5003413812E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.0064829737E-03  1.5003413812E-02
 -3.0064829737E-03  0.0000000000E+00  0.0000000000E+00
  1.5003413812E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.0064829737E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0064829737E-03  1.5003413812E-02
  0.0000000000E+00  1.5003413812E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.0712178714E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0712178714E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4317504128E-03

 Convertion factor = 110.22947 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -6.600  1.05318E-02  1.05318E-02  2.40705E-02  9.83666E-03  2.23079E-02  9.83666E-03  1.54094E-02
   dip-dip  9.06705E-03  9.06705E-03  9.06705E-03  8.18575E-03  7.30445E-03  8.18575E-03  8.47952E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.46476E-03  1.46476E-03  1.50034E-02  1.65090E-03  1.50034E-02  1.65090E-03  6.92986E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.61399E-02 -4.92797E-17  7.28129E-02  5.42516E-17
   dip-dip -1.09634E-17  0.00000E+00 -8.99536E-18  0.00000E+00
   dip-qua -6.61399E-02 -4.92797E-17  7.28129E-02  5.42516E-17
   qua-qua -2.53983E-17  0.00000E+00 -2.14224E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -6.50000 eV

 Vmoy = -16.53755 eV, Vmftabs = -19.97206 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.876E-05  1.857E-06    3.180E-02 -2.053E-03    5.958E-03 -3.848E-04
  1  0    1  1      1.126E-03 -8.504E-06   -2.880E-02  2.178E-04   -3.261E-03  2.475E-05
  2  0    1  1      4.606E-04 -6.388E-06   -1.926E-02  2.673E-04   -3.684E-03  5.118E-05
  3  0    1  1      1.269E-05 -3.188E-07   -7.004E-04  1.760E-05   -1.722E-04  4.331E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4569077561E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4569077561E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1905837477E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -2.7327694262E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7327694262E-04  2.9231838845E-04
  0.0000000000E+00  2.9231838845E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  2.7327694262E-04 -2.9231838845E-04
  2.7327694262E-04  0.0000000000E+00  0.0000000000E+00
 -2.9231838845E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.6351476048E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0597390858E-04 -3.2047987866E-04
  0.0000000000E+00 -3.2047987866E-04 -1.4514788074E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.8474433453E-04 -3.2047987866E-04
  1.8474433453E-04  0.0000000000E+00  0.0000000000E+00
 -3.2047987866E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -3.2047987866E-04  1.6265262193E-03
 -3.2047987866E-04  0.0000000000E+00  0.0000000000E+00
  1.6265262193E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.8474433453E-04 -3.2047987866E-04
  1.8474433453E-04  0.0000000000E+00  0.0000000000E+00
 -3.2047987866E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.0597390858E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6351476048E-04  3.2047987866E-04
  0.0000000000E+00  3.2047987866E-04 -1.4514788074E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -3.2047987866E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2047987866E-04  1.6265262193E-03
  0.0000000000E+00  1.6265262193E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -3.2047987866E-04  1.6265262193E-03
 -3.2047987866E-04  0.0000000000E+00  0.0000000000E+00
  1.6265262193E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -3.2047987866E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2047987866E-04  1.6265262193E-03
  0.0000000000E+00  1.6265262193E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.4514788074E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4514788074E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3332082228E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.7414465367E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7414465367E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.1435024859E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.5810885629E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3584345146E-04 -1.9228792720E-03
  0.0000000000E+00 -1.9228792720E-03 -8.7088728444E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.1084660072E-03 -1.9228792720E-03
  1.1084660072E-03  0.0000000000E+00  0.0000000000E+00
 -1.9228792720E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.9228792720E-03  9.7591573156E-03
 -1.9228792720E-03  0.0000000000E+00  0.0000000000E+00
  9.7591573156E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.1084660072E-03 -1.9228792720E-03
  1.1084660072E-03  0.0000000000E+00  0.0000000000E+00
 -1.9228792720E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.3584345146E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5810885629E-03  1.9228792720E-03
  0.0000000000E+00  1.9228792720E-03 -8.7088728444E-04

 Crystal Tensor_qq(ke,je,3,2)
 -1.9228792720E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9228792720E-03  9.7591573156E-03
  0.0000000000E+00  9.7591573156E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.9228792720E-03  9.7591573156E-03
 -1.9228792720E-03  0.0000000000E+00  0.0000000000E+00
  9.7591573156E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.9228792720E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9228792720E-03  9.7591573156E-03
  0.0000000000E+00  9.7591573156E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -8.7088728444E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.7088728444E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9999249337E-03

 Convertion factor = 110.23090 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -6.500  9.84991E-03  9.84991E-03  1.85006E-02  9.27317E-03  1.69027E-02  9.27317E-03  1.28368E-02
   dip-dip  8.74145E-03  8.74145E-03  8.74145E-03  7.94247E-03  7.14350E-03  7.94247E-03  8.20880E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.10847E-03  1.10847E-03  9.75916E-03  1.33070E-03  9.75916E-03  1.33070E-03  4.62800E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.41141E-02 -3.28686E-17  4.99525E-02  3.72187E-17
   dip-dip -9.93936E-18  0.00000E+00 -8.15515E-18  0.00000E+00
   dip-qua -4.41141E-02 -3.28686E-17  4.99525E-02  3.72187E-17
   qua-qua -1.62868E-17  0.00000E+00 -1.37193E-17  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -6.40000 eV

 Vmoy = -16.53958 eV, Vmftabs = -19.97251 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.684E-05  1.621E-06    2.967E-02 -1.792E-03    5.559E-03 -3.358E-04
  1  0    1  1      1.119E-03 -8.202E-06   -2.861E-02  2.101E-04   -3.241E-03  2.387E-05
  2  0    1  1      4.542E-04 -6.146E-06   -1.899E-02  2.571E-04   -3.632E-03  4.923E-05
  3  0    1  1      1.237E-05 -3.051E-07   -6.830E-04  1.685E-05   -1.680E-04  4.146E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4221059417E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4221059417E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1699430100E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -2.3055009579E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3055009579E-04  2.0429263612E-04
  0.0000000000E+00  2.0429263612E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  2.3055009579E-04 -2.0429263612E-04
  2.3055009579E-04  0.0000000000E+00  0.0000000000E+00
 -2.0429263612E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.1412296299E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.9494102924E-05 -2.1669453401E-04
  0.0000000000E+00 -2.1669453401E-04 -1.2017608260E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.4680853296E-04 -2.1669453401E-04
  1.4680853296E-04  0.0000000000E+00  0.0000000000E+00
 -2.1669453401E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -2.1669453401E-04  1.1177846615E-03
 -2.1669453401E-04  0.0000000000E+00  0.0000000000E+00
  1.1177846615E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.4680853296E-04 -2.1669453401E-04
  1.4680853296E-04  0.0000000000E+00  0.0000000000E+00
 -2.1669453401E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.9494102924E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1412296299E-04  2.1669453401E-04
  0.0000000000E+00  2.1669453401E-04 -1.2017608260E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -2.1669453401E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1669453401E-04  1.1177846615E-03
  0.0000000000E+00  1.1177846615E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -2.1669453401E-04  1.1177846615E-03
 -2.1669453401E-04  0.0000000000E+00  0.0000000000E+00
  1.1177846615E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -2.1669453401E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1669453401E-04  1.1177846615E-03
  0.0000000000E+00  1.1177846615E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.2017608260E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2017608260E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7969447160E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.5326356499E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5326356499E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.0196580599E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.2847377779E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7696461754E-04 -1.3001672041E-03
  0.0000000000E+00 -1.3001672041E-03 -7.2105649558E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  8.8085119773E-04 -1.3001672041E-03
  8.8085119773E-04  0.0000000000E+00  0.0000000000E+00
 -1.3001672041E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.3001672041E-03  6.7067079687E-03
 -1.3001672041E-03  0.0000000000E+00  0.0000000000E+00
  6.7067079687E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  8.8085119773E-04 -1.3001672041E-03
  8.8085119773E-04  0.0000000000E+00  0.0000000000E+00
 -1.3001672041E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.7696461754E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2847377779E-03  1.3001672041E-03
  0.0000000000E+00  1.3001672041E-03 -7.2105649558E-04

 Crystal Tensor_qq(ke,je,3,2)
 -1.3001672041E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3001672041E-03  6.7067079687E-03
  0.0000000000E+00  6.7067079687E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.3001672041E-03  6.7067079687E-03
 -1.3001672041E-03  0.0000000000E+00  0.0000000000E+00
  6.7067079687E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.3001672041E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3001672041E-03  6.7067079687E-03
  0.0000000000E+00  6.7067079687E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -7.2105649558E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.2105649558E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6781668296E-03

 Convertion factor = 110.23233 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -6.400  9.41349E-03  9.41349E-03  1.52393E-02  8.87740E-03  1.37264E-02  8.87740E-03  1.12983E-02
   dip-dip  8.53264E-03  8.53264E-03  8.53264E-03  7.77615E-03  7.01966E-03  7.77615E-03  8.02831E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  8.80851E-04  8.80851E-04  6.70671E-03  1.10125E-03  6.70671E-03  1.10125E-03  3.26997E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.07169E-02 -2.28866E-17  3.58970E-02  2.67462E-17
   dip-dip -9.41098E-18  0.00000E+00 -7.72162E-18  0.00000E+00
   dip-qua -3.07169E-02 -2.28866E-17  3.58970E-02  2.67462E-17
   qua-qua -1.11102E-17  0.00000E+00 -9.30912E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -6.30000 eV

 Vmoy = -16.54152 eV, Vmftabs = -19.97296 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.515E-05  1.427E-06    2.781E-02 -1.578E-03    5.210E-03 -2.957E-04
  1  0    1  1      1.112E-03 -7.913E-06   -2.844E-02  2.027E-04   -3.221E-03  2.303E-05
  2  0    1  1      4.479E-04 -5.915E-06   -1.873E-02  2.475E-04   -3.582E-03  4.739E-05
  3  0    1  1      1.207E-05 -2.922E-07   -6.664E-04  1.614E-05   -1.639E-04  3.971E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4007704617E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4007704617E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1541036075E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -1.9935379741E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9935379741E-04  1.4928150690E-04
  0.0000000000E+00  1.4928150690E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.9935379741E-04 -1.4928150690E-04
  1.9935379741E-04  0.0000000000E+00  0.0000000000E+00
 -1.4928150690E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.7976938017E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.2701776596E-05 -1.5467440852E-04
  0.0000000000E+00 -1.5467440852E-04 -1.0099438080E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.2123557838E-04 -1.5467440852E-04
  1.2123557838E-04  0.0000000000E+00  0.0000000000E+00
 -1.5467440852E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.5467440852E-04  8.0952603380E-04
 -1.5467440852E-04  0.0000000000E+00  0.0000000000E+00
  8.0952603380E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.2123557838E-04 -1.5467440852E-04
  1.2123557838E-04  0.0000000000E+00  0.0000000000E+00
 -1.5467440852E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.2701776596E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7976938017E-04  1.5467440852E-04
  0.0000000000E+00  1.5467440852E-04 -1.0099438080E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.5467440852E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5467440852E-04  8.0952603380E-04
  0.0000000000E+00  8.0952603380E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.5467440852E-04  8.0952603380E-04
 -1.5467440852E-04  0.0000000000E+00  0.0000000000E+00
  8.0952603380E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.5467440852E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5467440852E-04  8.0952603380E-04
  0.0000000000E+00  8.0952603380E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.0099438080E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0099438080E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3870313502E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.4046227705E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4046227705E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.9246216447E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.0786162810E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7621065958E-04 -9.2804645112E-04
  0.0000000000E+00 -9.2804645112E-04 -6.0596628477E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  7.2741347030E-04 -9.2804645112E-04
  7.2741347030E-04  0.0000000000E+00  0.0000000000E+00
 -9.2804645112E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -9.2804645112E-04  4.8571562028E-03
 -9.2804645112E-04  0.0000000000E+00  0.0000000000E+00
  4.8571562028E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  7.2741347030E-04 -9.2804645112E-04
  7.2741347030E-04  0.0000000000E+00  0.0000000000E+00
 -9.2804645112E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.7621065958E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0786162810E-03  9.2804645112E-04
  0.0000000000E+00  9.2804645112E-04 -6.0596628477E-04

 Crystal Tensor_qq(ke,je,3,2)
 -9.2804645112E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2804645112E-04  4.8571562028E-03
  0.0000000000E+00  4.8571562028E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -9.2804645112E-04  4.8571562028E-03
 -9.2804645112E-04  0.0000000000E+00  0.0000000000E+00
  4.8571562028E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -9.2804645112E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2804645112E-04  4.8571562028E-03
  0.0000000000E+00  4.8571562028E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -6.0596628477E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.0596628477E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4322188101E-03

 Convertion factor = 110.23376 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -6.300  9.13204E-03  9.13204E-03  1.32618E-02  8.59531E-03  1.17818E-02  8.59531E-03  1.03448E-02
   dip-dip  8.40462E-03  8.40462E-03  8.40462E-03  7.66462E-03  6.92462E-03  7.66462E-03  7.91129E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  7.27413E-04  7.27413E-04  4.85716E-03  9.30692E-04  4.85716E-03  9.30692E-04  2.43352E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.23573E-02 -1.66580E-17  2.70010E-02  2.01180E-17
   dip-dip -9.20598E-18  0.00000E+00 -7.55342E-18  0.00000E+00
   dip-qua -2.23573E-02 -1.66580E-17  2.70010E-02  2.01180E-17
   qua-qua -8.04644E-18  0.00000E+00 -6.68170E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -6.20000 eV

 Vmoy = -16.54336 eV, Vmftabs = -19.97340 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.367E-05  1.267E-06    2.616E-02 -1.400E-03    4.902E-03 -2.624E-04
  1  0    1  1      1.105E-03 -7.636E-06   -2.827E-02  1.956E-04   -3.201E-03  2.223E-05
  2  0    1  1      4.419E-04 -5.697E-06   -1.848E-02  2.384E-04   -3.534E-03  4.564E-05
  3  0    1  1      1.178E-05 -2.801E-07   -6.505E-04  1.547E-05   -1.600E-04  3.806E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3888552255E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3888552255E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1420747557E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -1.7539182591E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7539182591E-04  1.1329743228E-04
  0.0000000000E+00  1.1329743228E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.7539182591E-04 -1.1329743228E-04
  1.7539182591E-04  0.0000000000E+00  0.0000000000E+00
 -1.1329743228E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5466184917E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1350335770E-05 -1.1555100694E-04
  0.0000000000E+00 -1.1555100694E-04 -8.5924554123E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.0300609247E-04 -1.1555100694E-04
  1.0300609247E-04  0.0000000000E+00  0.0000000000E+00
 -1.1555100694E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.1555100694E-04  6.1239960958E-04
 -1.1555100694E-04  0.0000000000E+00  0.0000000000E+00
  6.1239960958E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.0300609247E-04 -1.1555100694E-04
  1.0300609247E-04  0.0000000000E+00  0.0000000000E+00
 -1.1555100694E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -5.1350335770E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5466184917E-04  1.1555100694E-04
  0.0000000000E+00  1.1555100694E-04 -8.5924554123E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.1555100694E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1555100694E-04  6.1239960958E-04
  0.0000000000E+00  6.1239960958E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.1555100694E-04  6.1239960958E-04
 -1.1555100694E-04  0.0000000000E+00  0.0000000000E+00
  6.1239960958E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.1555100694E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1555100694E-04  6.1239960958E-04
  0.0000000000E+00  6.1239960958E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -8.5924554123E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.5924554123E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0669692738E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.3331313532E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3331313532E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.8524485344E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.2797109504E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0810201462E-04 -6.9330604163E-04
  0.0000000000E+00 -6.9330604163E-04 -5.1554732474E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.1803655483E-04 -6.9330604163E-04
  6.1803655483E-04  0.0000000000E+00  0.0000000000E+00
 -6.9330604163E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -6.9330604163E-04  3.6743976575E-03
 -6.9330604163E-04  0.0000000000E+00  0.0000000000E+00
  3.6743976575E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.1803655483E-04 -6.9330604163E-04
  6.1803655483E-04  0.0000000000E+00  0.0000000000E+00
 -6.9330604163E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.0810201462E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2797109504E-04  6.9330604163E-04
  0.0000000000E+00  6.9330604163E-04 -5.1554732474E-04

 Crystal Tensor_qq(ke,je,3,2)
 -6.9330604163E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.9330604163E-04  3.6743976575E-03
  0.0000000000E+00  3.6743976575E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -6.9330604163E-04  3.6743976575E-03
 -6.9330604163E-04  0.0000000000E+00  0.0000000000E+00
  3.6743976575E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -6.9330604163E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.9330604163E-04  3.6743976575E-03
  0.0000000000E+00  3.6743976575E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.1554732474E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1554732474E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2401815643E-03

 Convertion factor = 110.23519 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -6.200  8.95117E-03  8.95117E-03  1.20075E-02  8.39260E-03  1.05268E-02  8.39260E-03  9.72862E-03
   dip-dip  8.33313E-03  8.33313E-03  8.33313E-03  7.59279E-03  6.85245E-03  7.59279E-03  7.83957E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  6.18037E-04  6.18037E-04  3.67440E-03  7.99812E-04  3.67440E-03  7.99812E-04  1.88905E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.68992E-02 -1.25913E-17  2.10933E-02  1.57162E-17
   dip-dip -9.21034E-18  0.00000E+00 -7.55700E-18  0.00000E+00
   dip-qua -1.68992E-02 -1.25913E-17  2.10933E-02  1.57162E-17
   qua-qua -6.12612E-18  0.00000E+00 -5.02739E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -6.10000 eV

 Vmoy = -16.54515 eV, Vmftabs = -19.97385 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.234E-05  1.132E-06    2.470E-02 -1.251E-03    4.628E-03 -2.344E-04
  1  0    1  1      1.099E-03 -7.369E-06   -2.810E-02  1.888E-04   -3.183E-03  2.146E-05
  2  0    1  1      4.362E-04 -5.489E-06   -1.823E-02  2.297E-04   -3.488E-03  4.398E-05
  3  0    1  1      1.151E-05 -2.687E-07   -6.353E-04  1.484E-05   -1.562E-04  3.651E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3838576096E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3838576096E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1331431384E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -1.5615538999E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5615538999E-04  8.8671154738E-05
  0.0000000000E+00  8.8671154738E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.5615538999E-04 -8.8671154738E-05
  1.5615538999E-04  0.0000000000E+00  0.0000000000E+00
 -8.8671154738E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3557015223E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3232041926E-05 -8.9571617760E-05
  0.0000000000E+00 -8.9571617760E-05 -7.3855887809E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.9401097080E-05 -8.9571617760E-05
  8.9401097080E-05  0.0000000000E+00  0.0000000000E+00
 -8.9571617760E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -8.9571617760E-05  4.7981132579E-04
 -8.9571617760E-05  0.0000000000E+00  0.0000000000E+00
  4.7981132579E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.9401097080E-05 -8.9571617760E-05
  8.9401097080E-05  0.0000000000E+00  0.0000000000E+00
 -8.9571617760E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.3232041926E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3557015223E-04  8.9571617760E-05
  0.0000000000E+00  8.9571617760E-05 -7.3855887809E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -8.9571617760E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9571617760E-05  4.7981132579E-04
  0.0000000000E+00  4.7981132579E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -8.9571617760E-05  4.7981132579E-04
 -8.9571617760E-05  0.0000000000E+00  0.0000000000E+00
  4.7981132579E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -8.9571617760E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9571617760E-05  4.7981132579E-04
  0.0000000000E+00  4.7981132579E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -7.3855887809E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3855887809E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8125980734E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.3031456575E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3031456575E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7988588305E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.1342091340E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5939225156E-04 -5.3742970656E-04
  0.0000000000E+00 -5.3742970656E-04 -4.4313532686E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.3640658248E-04 -5.3742970656E-04
  5.3640658248E-04  0.0000000000E+00  0.0000000000E+00
 -5.3742970656E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -5.3742970656E-04  2.8788679547E-03
 -5.3742970656E-04  0.0000000000E+00  0.0000000000E+00
  2.8788679547E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.3640658248E-04 -5.3742970656E-04
  5.3640658248E-04  0.0000000000E+00  0.0000000000E+00
 -5.3742970656E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.5939225156E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.1342091340E-04  5.3742970656E-04
  0.0000000000E+00  5.3742970656E-04 -4.4313532686E-04

 Crystal Tensor_qq(ke,je,3,2)
 -5.3742970656E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3742970656E-04  2.8788679547E-03
  0.0000000000E+00  2.8788679547E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -5.3742970656E-04  2.8788679547E-03
 -5.3742970656E-04  0.0000000000E+00  0.0000000000E+00
  2.8788679547E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -5.3742970656E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3742970656E-04  2.8788679547E-03
  0.0000000000E+00  2.8788679547E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.4313532686E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4313532686E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0875588440E-03

 Convertion factor = 110.23662 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -6.100  8.83955E-03  8.83955E-03  1.11820E-02  8.24781E-03  9.67773E-03  8.24781E-03  9.31788E-03
   dip-dip  8.30315E-03  8.30315E-03  8.30315E-03  7.55100E-03  6.79886E-03  7.55100E-03  7.80172E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  5.36407E-04  5.36407E-04  2.87887E-03  6.96813E-04  2.87887E-03  6.96813E-04  1.51617E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.31720E-02 -9.81425E-18  1.69795E-02  1.26511E-17
   dip-dip -9.35729E-18  0.00000E+00 -7.67757E-18  0.00000E+00
   dip-qua -1.31720E-02 -9.81425E-18  1.69795E-02  1.26511E-17
   qua-qua -4.85467E-18  0.00000E+00 -3.92961E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -6.00000 eV

 Vmoy = -16.54686 eV, Vmftabs = -19.97429 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.116E-05  1.017E-06    2.339E-02 -1.124E-03    4.383E-03 -2.107E-04
  1  0    1  1      1.093E-03 -7.113E-06   -2.795E-02  1.823E-04   -3.165E-03  2.071E-05
  2  0    1  1      4.306E-04 -5.292E-06   -1.800E-02  2.214E-04   -3.444E-03  4.240E-05
  3  0    1  1      1.124E-05 -2.579E-07   -6.207E-04  1.424E-05   -1.526E-04  3.505E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3841940998E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3841940998E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1267496063E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -1.4012973594E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4012973594E-04  7.1129478176E-05
  0.0000000000E+00  7.1129478176E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.4012973594E-04 -7.1129478176E-05
  1.4012973594E-04  0.0000000000E+00  0.0000000000E+00
 -7.1129478176E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2060795718E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7158787150E-05 -7.1533334750E-05
  0.0000000000E+00 -7.1533334750E-05 -6.4030269050E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.8883372167E-05 -7.1533334750E-05
  7.8883372167E-05  0.0000000000E+00  0.0000000000E+00
 -7.1533334750E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -7.1533334750E-05  3.8666429610E-04
 -7.1533334750E-05  0.0000000000E+00  0.0000000000E+00
  3.8666429610E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.8883372167E-05 -7.1533334750E-05
  7.8883372167E-05  0.0000000000E+00  0.0000000000E+00
 -7.1533334750E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.7158787150E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2060795718E-04  7.1533334750E-05
  0.0000000000E+00  7.1533334750E-05 -6.4030269050E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -7.1533334750E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1533334750E-05  3.8666429610E-04
  0.0000000000E+00  3.8666429610E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -7.1533334750E-05  3.8666429610E-04
 -7.1533334750E-05  0.0000000000E+00  0.0000000000E+00
  3.8666429610E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -7.1533334750E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1533334750E-05  3.8666429610E-04
  0.0000000000E+00  3.8666429610E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.4030269050E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.4030269050E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6074267454E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.3051645989E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3051645989E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7604976379E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  7.2364774310E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2295272290E-04 -4.2920000850E-04
  0.0000000000E+00 -4.2920000850E-04 -3.8418161430E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.7330023300E-04 -4.2920000850E-04
  4.7330023300E-04  0.0000000000E+00  0.0000000000E+00
 -4.2920000850E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.2920000850E-04  2.3199857766E-03
 -4.2920000850E-04  0.0000000000E+00  0.0000000000E+00
  2.3199857766E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.7330023300E-04 -4.2920000850E-04
  4.7330023300E-04  0.0000000000E+00  0.0000000000E+00
 -4.2920000850E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.2295272290E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2364774310E-04  4.2920000850E-04
  0.0000000000E+00  4.2920000850E-04 -3.8418161430E-04

 Crystal Tensor_qq(ke,je,3,2)
 -4.2920000850E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2920000850E-04  2.3199857766E-03
  0.0000000000E+00  2.3199857766E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.2920000850E-04  2.3199857766E-03
 -4.2920000850E-04  0.0000000000E+00  0.0000000000E+00
  2.3199857766E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.2920000850E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2920000850E-04  2.3199857766E-03
  0.0000000000E+00  2.3199857766E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.8418161430E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8418161430E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.6445604722E-04

 Convertion factor = 110.23805 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -6.000  8.77846E-03  8.77846E-03  1.06252E-02  8.14695E-03  9.08048E-03  8.14695E-03  9.03980E-03
   dip-dip  8.30516E-03  8.30516E-03  8.30516E-03  7.53283E-03  6.76050E-03  7.53283E-03  7.79028E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.73300E-04  4.73300E-04  2.31999E-03  6.14117E-04  2.31999E-03  6.14117E-04  1.24953E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.05237E-02 -7.84104E-18  1.39912E-02  1.04246E-17
   dip-dip -9.60859E-18  0.00000E+00 -7.88376E-18  0.00000E+00
   dip-qua -1.05237E-02 -7.84104E-18  1.39912E-02  1.04246E-17
   qua-qua -3.97176E-18  0.00000E+00 -3.16712E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -5.80000 eV

 Vmoy = -16.55007 eV, Vmftabs = -19.97516 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.913E-05  8.347E-07    2.115E-02 -9.227E-04    3.963E-03 -1.729E-04
  1  0    1  1      1.081E-03 -6.630E-06   -2.765E-02  1.699E-04   -3.132E-03  1.931E-05
  2  0    1  1      4.201E-04 -4.925E-06   -1.756E-02  2.061E-04   -3.359E-03  3.947E-05
  3  0    1  1      1.075E-05 -2.381E-07   -5.932E-04  1.315E-05   -1.459E-04  3.236E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 2

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3973528098E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3973528098E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1200093633E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -1.1419799522E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1419799522E-04  4.8391181042E-05
  0.0000000000E+00  4.8391181042E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.1419799522E-04 -4.8391181042E-05
  1.1419799522E-04  0.0000000000E+00  0.0000000000E+00
 -4.8391181042E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  9.8835772745E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8731233804E-05 -4.8849128039E-05
  0.0000000000E+00 -4.8849128039E-05 -4.9131571149E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.3783503274E-05 -4.8849128039E-05
  6.3783503274E-05  0.0000000000E+00  0.0000000000E+00
 -4.8849128039E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -4.8849128039E-05  2.6780170914E-04
 -4.8849128039E-05  0.0000000000E+00  0.0000000000E+00
  2.6780170914E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.3783503274E-05 -4.8849128039E-05
  6.3783503274E-05  0.0000000000E+00  0.0000000000E+00
 -4.8849128039E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.8731233804E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.8835772745E-05  4.8849128039E-05
  0.0000000000E+00  4.8849128039E-05 -4.9131571149E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.8849128039E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8849128039E-05  2.6780170914E-04
  0.0000000000E+00  2.6780170914E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -4.8849128039E-05  2.6780170914E-04
 -4.8849128039E-05  0.0000000000E+00  0.0000000000E+00
  2.6780170914E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.8849128039E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8849128039E-05  2.6780170914E-04
  0.0000000000E+00  2.6780170914E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.9131571149E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9131571149E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3017349089E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.3841168588E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3841168588E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7200561800E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  5.9301463647E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7238740282E-04 -2.9309476823E-04
  0.0000000000E+00 -2.9309476823E-04 -2.9478942690E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.8270101965E-04 -2.9309476823E-04
  3.8270101965E-04  0.0000000000E+00  0.0000000000E+00
 -2.9309476823E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.9309476823E-04  1.6068102548E-03
 -2.9309476823E-04  0.0000000000E+00  0.0000000000E+00
  1.6068102548E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.8270101965E-04 -2.9309476823E-04
  3.8270101965E-04  0.0000000000E+00  0.0000000000E+00
 -2.9309476823E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.7238740282E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9301463647E-04  2.9309476823E-04
  0.0000000000E+00  2.9309476823E-04 -2.9478942690E-04

 Crystal Tensor_qq(ke,je,3,2)
 -2.9309476823E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9309476823E-04  1.6068102548E-03
  0.0000000000E+00  1.6068102548E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.9309476823E-04  1.6068102548E-03
 -2.9309476823E-04  0.0000000000E+00  0.0000000000E+00
  1.6068102548E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.9309476823E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9309476823E-04  1.6068102548E-03
  0.0000000000E+00  1.6068102548E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.9478942690E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9478942690E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.8104094536E-04

 Convertion factor = 110.24092 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -5.800  8.76682E-03  8.76682E-03  9.99093E-03  8.04300E-03  8.32687E-03  8.04300E-03  8.73063E-03
   dip-dip  8.38412E-03  8.38412E-03  8.38412E-03  7.55209E-03  6.72006E-03  7.55209E-03  7.82943E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.82701E-04  3.82701E-04  1.60681E-03  4.90909E-04  1.60681E-03  4.90909E-04  9.01200E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.10564E-03 -5.29428E-18  9.98908E-03  7.44268E-18
   dip-dip -1.03515E-17  0.00000E+00 -8.49335E-18  0.00000E+00
   dip-qua -7.10564E-03 -5.29428E-18  9.98908E-03  7.44268E-18
   qua-qua -2.85721E-18  0.00000E+00 -2.20656E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -5.60000 eV

 Vmoy = -16.55296 eV, Vmftabs = -19.97603 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.746E-05  6.974E-07    1.930E-02 -7.709E-04    3.616E-03 -1.445E-04
  1  0    1  1      1.071E-03 -6.181E-06   -2.738E-02  1.584E-04   -3.101E-03  1.801E-05
  2  0    1  1      4.102E-04 -4.592E-06   -1.715E-02  1.921E-04   -3.281E-03  3.680E-05
  3  0    1  1      1.029E-05 -2.204E-07   -5.679E-04  1.217E-05   -1.397E-04  2.995E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4260869534E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4260869534E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1209639180E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -9.2411916858E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2411916858E-05  3.4073627941E-05
  0.0000000000E+00  3.4073627941E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  9.2411916858E-05 -3.4073627941E-05
  9.2411916858E-05  0.0000000000E+00  0.0000000000E+00
 -3.4073627941E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  8.3197774846E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3126234696E-05 -3.5051224093E-05
  0.0000000000E+00 -3.5051224093E-05 -3.7948297707E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.3162004771E-05 -3.5051224093E-05
  5.3162004771E-05  0.0000000000E+00  0.0000000000E+00
 -3.5051224093E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -3.5051224093E-05  1.9435566255E-04
 -3.5051224093E-05  0.0000000000E+00  0.0000000000E+00
  1.9435566255E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.3162004771E-05 -3.5051224093E-05
  5.3162004771E-05  0.0000000000E+00  0.0000000000E+00
 -3.5051224093E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.3126234696E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3197774846E-05  3.5051224093E-05
  0.0000000000E+00  3.5051224093E-05 -3.7948297707E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -3.5051224093E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5051224093E-05  1.9435566255E-04
  0.0000000000E+00  1.9435566255E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -3.5051224093E-05  1.9435566255E-04
 -3.5051224093E-05  0.0000000000E+00  0.0000000000E+00
  1.9435566255E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -3.5051224093E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5051224093E-05  1.9435566255E-04
  0.0000000000E+00  1.9435566255E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.7948297707E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7948297707E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0834184676E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.5565217204E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5565217204E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7257835079E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.9918664907E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3875740818E-04 -2.1030734456E-04
  0.0000000000E+00 -2.1030734456E-04 -2.2768978624E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.1897202863E-04 -2.1030734456E-04
  3.1897202863E-04  0.0000000000E+00  0.0000000000E+00
 -2.1030734456E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.1030734456E-04  1.1661339753E-03
 -2.1030734456E-04  0.0000000000E+00  0.0000000000E+00
  1.1661339753E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.1897202863E-04 -2.1030734456E-04
  3.1897202863E-04  0.0000000000E+00  0.0000000000E+00
 -2.1030734456E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.3875740818E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9918664907E-04  2.1030734456E-04
  0.0000000000E+00  2.1030734456E-04 -2.2768978624E-04

 Crystal Tensor_qq(ke,je,3,2)
 -2.1030734456E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1030734456E-04  1.1661339753E-03
  0.0000000000E+00  1.1661339753E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.1030734456E-04  1.1661339753E-03
 -2.1030734456E-04  0.0000000000E+00  0.0000000000E+00
  1.1661339753E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.1030734456E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1030734456E-04  1.1661339753E-03
  0.0000000000E+00  1.1661339753E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.2768978624E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2768978624E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.5005108056E-04

 Convertion factor = 110.24378 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -5.600  8.87549E-03  8.87549E-03  9.72266E-03  8.04231E-03  7.89192E-03  8.04231E-03  8.62603E-03
   dip-dip  8.55652E-03  8.55652E-03  8.55652E-03  7.64115E-03  6.72578E-03  7.64115E-03  7.94628E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.18972E-04  3.18972E-04  1.16613E-03  4.01154E-04  1.16613E-03  4.01154E-04  6.79752E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.96899E-03 -3.70231E-18  7.33298E-03  5.46367E-18
   dip-dip -1.13887E-17  0.00000E+00 -9.34431E-18  0.00000E+00
   dip-qua -4.96899E-03 -3.70231E-18  7.33298E-03  5.46367E-18
   qua-qua -2.17190E-18  0.00000E+00 -1.61978E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -5.40000 eV

 Vmoy = -16.55562 eV, Vmftabs = -19.97636 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.605E-05  5.914E-07    1.774E-02 -6.537E-04    3.324E-03 -1.225E-04
  1  0    1  1      1.061E-03 -5.763E-06   -2.714E-02  1.477E-04   -3.073E-03  1.680E-05
  2  0    1  1      4.011E-04 -4.289E-06   -1.677E-02  1.794E-04   -3.208E-03  3.437E-05
  3  0    1  1      9.864E-06 -2.045E-07   -5.445E-04  1.129E-05   -1.339E-04  2.779E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4664279263E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4664279263E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1249287685E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -7.3745487561E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3745487561E-05  2.5361762998E-05
  0.0000000000E+00  2.5361762998E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  7.3745487561E-05 -2.5361762998E-05
  7.3745487561E-05  0.0000000000E+00  0.0000000000E+00
 -2.5361762998E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  7.3081474013E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9583859445E-05 -2.6879156785E-05
  0.0000000000E+00 -2.6879156785E-05 -3.0209269385E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.6332666729E-05 -2.6879156785E-05
  4.6332666729E-05  0.0000000000E+00  0.0000000000E+00
 -2.6879156785E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -2.6879156785E-05  1.5013597568E-04
 -2.6879156785E-05  0.0000000000E+00  0.0000000000E+00
  1.5013597568E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.6332666729E-05 -2.6879156785E-05
  4.6332666729E-05  0.0000000000E+00  0.0000000000E+00
 -2.6879156785E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.9583859445E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3081474013E-05  2.6879156785E-05
  0.0000000000E+00  2.6879156785E-05 -3.0209269385E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -2.6879156785E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6879156785E-05  1.5013597568E-04
  0.0000000000E+00  1.5013597568E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -2.6879156785E-05  1.5013597568E-04
 -2.6879156785E-05  0.0000000000E+00  0.0000000000E+00
  1.5013597568E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -2.6879156785E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6879156785E-05  1.5013597568E-04
  0.0000000000E+00  1.5013597568E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.0209269385E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0209269385E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.3680114812E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.7985675577E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7985675577E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7495726111E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.3848884408E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1750315667E-04 -1.6127494071E-04
  0.0000000000E+00 -1.6127494071E-04 -1.8125561631E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.7799600037E-04 -1.6127494071E-04
  2.7799600037E-04  0.0000000000E+00  0.0000000000E+00
 -1.6127494071E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.6127494071E-04  9.0081585409E-04
 -1.6127494071E-04  0.0000000000E+00  0.0000000000E+00
  9.0081585409E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.7799600037E-04 -1.6127494071E-04
  2.7799600037E-04  0.0000000000E+00  0.0000000000E+00
 -1.6127494071E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.1750315667E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3848884408E-04  1.6127494071E-04
  0.0000000000E+00  1.6127494071E-04 -1.8125561631E-04

 Crystal Tensor_qq(ke,je,3,2)
 -1.6127494071E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6127494071E-04  9.0081585409E-04
  0.0000000000E+00  9.0081585409E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.6127494071E-04  9.0081585409E-04
 -1.6127494071E-04  0.0000000000E+00  0.0000000000E+00
  9.0081585409E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.6127494071E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6127494071E-04  9.0081585409E-04
  0.0000000000E+00  9.0081585409E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.8125561631E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8125561631E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.6208068887E-04

 Convertion factor = 110.24664 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -5.400  9.07656E-03  9.07656E-03  9.69938E-03  8.11484E-03  7.65039E-03  8.11484E-03  8.65943E-03
   dip-dip  8.79857E-03  8.79857E-03  8.79857E-03  7.77407E-03  6.74957E-03  7.77407E-03  8.11557E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.77996E-04  2.77996E-04  9.00816E-04  3.40770E-04  9.00816E-04  3.40770E-04  5.43864E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.68440E-03 -2.74518E-18  5.58192E-03  4.15899E-18
   dip-dip -1.27468E-17  0.00000E+00 -1.04586E-17  0.00000E+00
   dip-qua -3.68440E-03 -2.74518E-18  5.58192E-03  4.15899E-18
   qua-qua -1.76986E-18  0.00000E+00 -1.27318E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -5.20000 eV

 Vmoy = -16.55807 eV, Vmftabs = -19.97484 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.485E-05  5.078E-07    1.642E-02 -5.613E-04    3.077E-03 -1.052E-04
  1  0    1  1      1.052E-03 -5.372E-06   -2.691E-02  1.377E-04   -3.048E-03  1.566E-05
  2  0    1  1      3.926E-04 -4.011E-06   -1.641E-02  1.678E-04   -3.139E-03  3.215E-05
  3  0    1  1      9.471E-06 -1.901E-07   -5.228E-04  1.050E-05   -1.286E-04  2.584E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5209777804E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5209777804E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1326315583E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -5.5747098101E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.5747098101E-05  1.9338698995E-05
  0.0000000000E+00  1.9338698995E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  5.5747098101E-05 -1.9338698995E-05
  5.5747098101E-05  0.0000000000E+00  0.0000000000E+00
 -1.9338698995E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  6.6064738059E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7376401062E-05 -2.1333810891E-05
  0.0000000000E+00 -2.1333810891E-05 -2.4311814585E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.1720569561E-05 -2.1333810891E-05
  4.1720569561E-05  0.0000000000E+00  0.0000000000E+00
 -2.1333810891E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -2.1333810891E-05  1.1993517727E-04
 -2.1333810891E-05  0.0000000000E+00  0.0000000000E+00
  1.1993517727E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.1720569561E-05 -2.1333810891E-05
  4.1720569561E-05  0.0000000000E+00  0.0000000000E+00
 -2.1333810891E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.7376401062E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6064738059E-05  2.1333810891E-05
  0.0000000000E+00  2.1333810891E-05 -2.4311814585E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -2.1333810891E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1333810891E-05  1.1993517727E-04
  0.0000000000E+00  1.1993517727E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -2.1333810891E-05  1.1993517727E-04
 -2.1333810891E-05  0.0000000000E+00  0.0000000000E+00
  1.1993517727E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -2.1333810891E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1333810891E-05  1.1993517727E-04
  0.0000000000E+00  1.1993517727E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.4311814585E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4311814585E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.3293466576E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.1258666825E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1258666825E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7957893500E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  3.9638842835E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0425840637E-04 -1.2800286535E-04
  0.0000000000E+00 -1.2800286535E-04 -1.4587088751E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.5032341736E-04 -1.2800286535E-04
  2.5032341736E-04  0.0000000000E+00  0.0000000000E+00
 -1.2800286535E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.2800286535E-04  7.1961106363E-04
 -1.2800286535E-04  0.0000000000E+00  0.0000000000E+00
  7.1961106363E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.5032341736E-04 -1.2800286535E-04
  2.5032341736E-04  0.0000000000E+00  0.0000000000E+00
 -1.2800286535E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.0425840637E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9638842835E-04  1.2800286535E-04
  0.0000000000E+00  1.2800286535E-04 -1.4587088751E-04

 Crystal Tensor_qq(ke,je,3,2)
 -1.2800286535E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2800286535E-04  7.1961106363E-04
  0.0000000000E+00  7.1961106363E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.2800286535E-04  7.1961106363E-04
 -1.2800286535E-04  0.0000000000E+00  0.0000000000E+00
  7.1961106363E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.2800286535E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2800286535E-04  7.1961106363E-04
  0.0000000000E+00  7.1961106363E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.4587088751E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4587088751E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.9976079945E-04

 Convertion factor = 110.24950 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -5.200  9.37619E-03  9.37619E-03  9.84548E-03  8.25780E-03  7.51540E-03  8.25780E-03  8.79965E-03
   dip-dip  9.12587E-03  9.12587E-03  9.12587E-03  7.96083E-03  6.79579E-03  7.96083E-03  8.34917E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.50323E-04  2.50323E-04  7.19611E-04  2.96973E-04  7.19611E-04  2.96973E-04  4.50478E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.81087E-03 -2.09433E-18  4.24432E-03  3.16236E-18
   dip-dip -1.44957E-17  0.00000E+00 -1.18936E-17  0.00000E+00
   dip-qua -2.81087E-03 -2.09433E-18  4.24432E-03  3.16236E-18
   qua-qua -1.50181E-18  0.00000E+00 -1.03926E-18  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -5.00000 eV

 Vmoy = -16.56034 eV, Vmftabs = -19.97226 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.382E-05  4.408E-07    1.528E-02 -4.873E-04    2.863E-03 -9.133E-05
  1  0    1  1      1.044E-03 -5.006E-06   -2.670E-02  1.283E-04   -3.024E-03  1.460E-05
  2  0    1  1      3.846E-04 -3.756E-06   -1.608E-02  1.572E-04   -3.075E-03  3.011E-05
  3  0    1  1      9.105E-06 -1.772E-07   -5.026E-04  9.783E-06   -1.236E-04  2.408E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5927377567E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5927377567E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1433604709E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -3.7079785895E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7079785895E-05  1.5017426299E-05
  0.0000000000E+00  1.5017426299E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.7079785895E-05 -1.5017426299E-05
  3.7079785895E-05  0.0000000000E+00  0.0000000000E+00
 -1.5017426299E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  6.1446529892E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6297487190E-05 -1.7366645396E-05
  0.0000000000E+00 -1.7366645396E-05 -1.9717086443E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.8872008541E-05 -1.7366645396E-05
  3.8872008541E-05  0.0000000000E+00  0.0000000000E+00
 -1.7366645396E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.7366645396E-05  9.8342833325E-05
 -1.7366645396E-05  0.0000000000E+00  0.0000000000E+00
  9.8342833325E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.8872008541E-05 -1.7366645396E-05
  3.8872008541E-05  0.0000000000E+00  0.0000000000E+00
 -1.7366645396E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.6297487190E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1446529892E-05  1.7366645396E-05
  0.0000000000E+00  1.7366645396E-05 -1.9717086443E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.7366645396E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7366645396E-05  9.8342833325E-05
  0.0000000000E+00  9.8342833325E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.7366645396E-05  9.8342833325E-05
 -1.7366645396E-05  0.0000000000E+00  0.0000000000E+00
  9.8342833325E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.7366645396E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7366645396E-05  9.8342833325E-05
  0.0000000000E+00  9.8342833325E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.9717086443E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9717086443E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.6067268319E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.5564265400E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.5564265400E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.8601628254E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  3.6867917935E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.7784923141E-05 -1.0419987238E-04
  0.0000000000E+00 -1.0419987238E-04 -1.1830251866E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.3323205125E-04 -1.0419987238E-04
  2.3323205125E-04  0.0000000000E+00  0.0000000000E+00
 -1.0419987238E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.0419987238E-04  5.9005699995E-04
 -1.0419987238E-04  0.0000000000E+00  0.0000000000E+00
  5.9005699995E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.3323205125E-04 -1.0419987238E-04
  2.3323205125E-04  0.0000000000E+00  0.0000000000E+00
 -1.0419987238E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -9.7784923141E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6867917935E-04  1.0419987238E-04
  0.0000000000E+00  1.0419987238E-04 -1.1830251866E-04

 Crystal Tensor_qq(ke,je,3,2)
 -1.0419987238E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0419987238E-04  5.9005699995E-04
  0.0000000000E+00  5.9005699995E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.0419987238E-04  5.9005699995E-04
 -1.0419987238E-04  0.0000000000E+00  0.0000000000E+00
  5.9005699995E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.0419987238E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0419987238E-04  5.9005699995E-04
  0.0000000000E+00  5.9005699995E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.1830251866E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1830251866E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.5640360991E-04

 Convertion factor = 110.25236 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -5.000  9.78966E-03  9.78966E-03  1.01465E-02  8.47372E-03  7.45022E-03  8.47372E-03  9.04222E-03
   dip-dip  9.55643E-03  9.55643E-03  9.55643E-03  8.20829E-03  6.86016E-03  8.20829E-03  8.65767E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.33232E-04  2.33232E-04  5.90057E-04  2.65422E-04  5.90057E-04  2.65422E-04  3.84546E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.20065E-03 -1.63966E-18  3.14117E-03  2.34043E-18
   dip-dip -1.67743E-17  0.00000E+00 -1.37631E-17  0.00000E+00
   dip-qua -2.20065E-03 -1.63966E-18  3.14117E-03  2.34043E-18
   qua-qua -1.31997E-18  0.00000E+00 -8.74716E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -4.80000 eV

 Vmoy = -16.56240 eV, Vmftabs = -19.96971 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.293E-05  3.863E-07    1.429E-02 -4.271E-04    2.678E-03 -8.004E-05
  1  0    1  1      1.037E-03 -4.661E-06   -2.651E-02  1.195E-04   -3.002E-03  1.360E-05
  2  0    1  1      3.771E-04 -3.522E-06   -1.576E-02  1.474E-04   -3.015E-03  2.824E-05
  3  0    1  1      8.764E-06 -1.654E-07   -4.838E-04  9.133E-06   -1.190E-04  2.248E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.6867120805E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6867120805E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1565924270E-03

 Tensor_dq(1,ks,j2), prototypical atom
 -1.6379644753E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6379644753E-05  1.1877562840E-05
  0.0000000000E+00  1.1877562840E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.6379644753E-05 -1.1877562840E-05
  1.6379644753E-05  0.0000000000E+00  0.0000000000E+00
 -1.1877562840E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  5.8864561546E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6307701207E-05 -1.4392895326E-05
  0.0000000000E+00 -1.4392895326E-05 -1.6073489353E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.7586131376E-05 -1.4392895326E-05
  3.7586131376E-05  0.0000000000E+00  0.0000000000E+00
 -1.4392895326E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.4392895326E-05  8.2342981058E-05
 -1.4392895326E-05  0.0000000000E+00  0.0000000000E+00
  8.2342981058E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.7586131376E-05 -1.4392895326E-05
  3.7586131376E-05  0.0000000000E+00  0.0000000000E+00
 -1.4392895326E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.6307701207E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8864561546E-05  1.4392895326E-05
  0.0000000000E+00  1.4392895326E-05 -1.6073489353E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.4392895326E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4392895326E-05  8.2342981058E-05
  0.0000000000E+00  8.2342981058E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.4392895326E-05  8.2342981058E-05
 -1.4392895326E-05  0.0000000000E+00  0.0000000000E+00
  8.2342981058E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.4392895326E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4392895326E-05  8.2342981058E-05
  0.0000000000E+00  8.2342981058E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.6073489353E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6073489353E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.1318486295E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0120272483E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0120272483E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.9395545622E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  3.5318736928E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.7846207240E-05 -8.6357371955E-05
  0.0000000000E+00 -8.6357371955E-05 -9.6440936117E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.2551678826E-04 -8.6357371955E-05
  2.2551678826E-04  0.0000000000E+00  0.0000000000E+00
 -8.6357371955E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -8.6357371955E-05  4.9405788635E-04
 -8.6357371955E-05  0.0000000000E+00  0.0000000000E+00
  4.9405788635E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.2551678826E-04 -8.6357371955E-05
  2.2551678826E-04  0.0000000000E+00  0.0000000000E+00
 -8.6357371955E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -9.7846207240E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5318736928E-04  8.6357371955E-05
  0.0000000000E+00  8.6357371955E-05 -9.6440936117E-05

 Crystal Tensor_qq(ke,je,3,2)
 -8.6357371955E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.6357371955E-05  4.9405788635E-04
  0.0000000000E+00  4.9405788635E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -8.6357371955E-05  4.9405788635E-04
 -8.6357371955E-05  0.0000000000E+00  0.0000000000E+00
  4.9405788635E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -8.6357371955E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.6357371955E-05  4.9405788635E-04
  0.0000000000E+00  4.9405788635E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -9.6440936117E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.6440936117E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2791091777E-04

 Convertion factor = 110.25523 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -4.800  1.03458E-02  1.03458E-02  1.06143E-02  8.77341E-03  7.43361E-03  8.77341E-03  9.39776E-03
   dip-dip  1.01203E-02  1.01203E-02  1.01203E-02  8.52991E-03  6.93955E-03  8.52991E-03  9.06003E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.25517E-04  2.25517E-04  4.94058E-04  2.43495E-04  4.94058E-04  2.43495E-04  3.37727E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.77772E-03 -1.32454E-18  2.16167E-03  1.61062E-18
   dip-dip -1.97887E-17  0.00000E+00 -1.62365E-17  0.00000E+00
   dip-qua -1.77772E-03 -1.32454E-18  2.16167E-03  1.61062E-18
   qua-qua -1.19882E-18  0.00000E+00 -7.55713E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -4.60000 eV

 Vmoy = -16.56419 eV, Vmftabs = -19.96717 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.215E-05  3.414E-07    1.343E-02 -3.774E-04    2.516E-03 -7.075E-05
  1  0    1  1      1.030E-03 -4.336E-06   -2.633E-02  1.112E-04   -2.982E-03  1.266E-05
  2  0    1  1      3.700E-04 -3.307E-06   -1.547E-02  1.384E-04   -2.959E-03  2.651E-05
  3  0    1  1      8.446E-06 -1.547E-07   -4.662E-04  8.542E-06   -1.147E-04  2.102E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.8105293257E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8105293257E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1719375014E-03

 Tensor_dq(1,ks,j2), prototypical atom
  7.9459422624E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.9459422624E-06  9.6624364454E-06
  0.0000000000E+00  9.6624364454E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -7.9459422624E-06 -9.6624364454E-06
 -7.9459422624E-06  0.0000000000E+00  0.0000000000E+00
 -9.6624364454E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  5.8184039246E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7492373412E-05 -1.2058420086E-05
  0.0000000000E+00 -1.2058420086E-05 -1.3141068674E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.7838206329E-05 -1.2058420086E-05
  3.7838206329E-05  0.0000000000E+00  0.0000000000E+00
 -1.2058420086E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.2058420086E-05  7.0143676803E-05
 -1.2058420086E-05  0.0000000000E+00  0.0000000000E+00
  7.0143676803E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.7838206329E-05 -1.2058420086E-05
  3.7838206329E-05  0.0000000000E+00  0.0000000000E+00
 -1.2058420086E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.7492373412E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8184039246E-05  1.2058420086E-05
  0.0000000000E+00  1.2058420086E-05 -1.3141068674E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.2058420086E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2058420086E-05  7.0143676803E-05
  0.0000000000E+00  7.0143676803E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.2058420086E-05  7.0143676803E-05
 -1.2058420086E-05  0.0000000000E+00  0.0000000000E+00
  7.0143676803E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.2058420086E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2058420086E-05  7.0143676803E-05
  0.0000000000E+00  7.0143676803E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.3141068674E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3141068674E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.8638968647E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0863175954E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0863175954E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.0316250085E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  3.4910423548E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0495424047E-04 -7.2350520513E-05
  0.0000000000E+00 -7.2350520513E-05 -7.8846412046E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.2702923797E-04 -7.2350520513E-05
  2.2702923797E-04  0.0000000000E+00  0.0000000000E+00
 -7.2350520513E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.2350520513E-05  4.2086206082E-04
 -7.2350520513E-05  0.0000000000E+00  0.0000000000E+00
  4.2086206082E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.2702923797E-04 -7.2350520513E-05
  2.2702923797E-04  0.0000000000E+00  0.0000000000E+00
 -7.2350520513E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.0495424047E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4910423548E-04  7.2350520513E-05
  0.0000000000E+00  7.2350520513E-05 -7.8846412046E-05

 Crystal Tensor_qq(ke,je,3,2)
 -7.2350520513E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2350520513E-05  4.2086206082E-04
  0.0000000000E+00  4.2086206082E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.2350520513E-05  4.2086206082E-04
 -7.2350520513E-05  0.0000000000E+00  0.0000000000E+00
  4.2086206082E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.2350520513E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2350520513E-05  4.2086206082E-04
  0.0000000000E+00  4.2086206082E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -7.8846412046E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.8846412046E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.1183381188E-04

 Convertion factor = 110.25809 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -4.600  1.10902E-02  1.10902E-02  1.12840E-02  9.17706E-03  7.45249E-03  9.17706E-03  9.89126E-03
   dip-dip  1.08632E-02  1.08632E-02  1.08632E-02  8.94740E-03  7.03163E-03  8.94740E-03  9.58599E-03
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.27029E-04  2.27029E-04  4.20862E-04  2.29658E-04  4.20862E-04  2.29658E-04  3.05263E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.50723E-03 -1.12301E-18  1.22823E-03  9.15134E-19
   dip-dip -2.38385E-17  0.00000E+00 -1.95592E-17  0.00000E+00
   dip-qua -1.50723E-03 -1.12301E-18  1.22823E-03  9.15134E-19
   qua-qua -1.12432E-18  0.00000E+00 -6.68209E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -4.40000 eV

 Vmoy = -16.56561 eV, Vmftabs = -19.96467 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.145E-05  3.041E-07    1.266E-02 -3.361E-04    2.373E-03 -6.301E-05
  1  0    1  1      1.023E-03 -4.029E-06   -2.616E-02  1.033E-04   -2.963E-03  1.177E-05
  2  0    1  1      3.635E-04 -3.108E-06   -1.519E-02  1.301E-04   -2.906E-03  2.492E-05
  3  0    1  1      8.149E-06 -1.449E-07   -4.498E-04  8.003E-06   -1.106E-04  1.970E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.9752990582E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9752990582E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1890967583E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.7880438428E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7880438428E-05  8.2929466949E-06
  0.0000000000E+00  8.2929466949E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.7880438428E-05 -8.2929466949E-06
 -3.7880438428E-05  0.0000000000E+00  0.0000000000E+00
 -8.2929466949E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  5.9440720762E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0044344742E-05 -1.0129190753E-05
  0.0000000000E+00 -1.0129190753E-05 -1.0747408350E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.9742532752E-05 -1.0129190753E-05
  3.9742532752E-05  0.0000000000E+00  0.0000000000E+00
 -1.0129190753E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.0129190753E-05  6.0624174629E-05
 -1.0129190753E-05  0.0000000000E+00  0.0000000000E+00
  6.0624174629E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.9742532752E-05 -1.0129190753E-05
  3.9742532752E-05  0.0000000000E+00  0.0000000000E+00
 -1.0129190753E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.0044344742E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9440720762E-05  1.0129190753E-05
  0.0000000000E+00  1.0129190753E-05 -1.0747408350E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.0129190753E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0129190753E-05  6.0624174629E-05
  0.0000000000E+00  6.0624174629E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.0129190753E-05  6.0624174629E-05
 -1.0129190753E-05  0.0000000000E+00  0.0000000000E+00
  6.0624174629E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.0129190753E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0129190753E-05  6.0624174629E-05
  0.0000000000E+00  6.0624174629E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.0747408350E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0747408350E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7809935532E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.1851794349E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1851794349E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.1345805497E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  3.5664432457E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2026606845E-04 -6.0775144517E-05
  0.0000000000E+00 -6.0775144517E-05 -6.4484450099E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.3845519651E-04 -6.0775144517E-05
  2.3845519651E-04  0.0000000000E+00  0.0000000000E+00
 -6.0775144517E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -6.0775144517E-05  3.6374504778E-04
 -6.0775144517E-05  0.0000000000E+00  0.0000000000E+00
  3.6374504778E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.3845519651E-04 -6.0775144517E-05
  2.3845519651E-04  0.0000000000E+00  0.0000000000E+00
 -6.0775144517E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.2026606845E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5664432457E-04  6.0775144517E-05
  0.0000000000E+00  6.0775144517E-05 -6.4484450099E-05

 Crystal Tensor_qq(ke,je,3,2)
 -6.0775144517E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.0775144517E-05  3.6374504778E-04
  0.0000000000E+00  3.6374504778E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -6.0775144517E-05  3.6374504778E-04
 -6.0775144517E-05  0.0000000000E+00  0.0000000000E+00
  3.6374504778E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -6.0775144517E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.0775144517E-05  3.6374504778E-04
  0.0000000000E+00  3.6374504778E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -6.4484450099E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.4484450099E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0685961319E-04

 Convertion factor = 110.26095 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -4.400  1.20902E-02  1.20902E-02  1.22155E-02  9.71631E-03  7.49833E-03  9.71631E-03  1.05639E-02
   dip-dip  1.18518E-02  1.18518E-02  1.18518E-02  9.49319E-03  7.13458E-03  9.49319E-03  1.02794E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.38455E-04  2.38455E-04  3.63745E-04  2.23118E-04  3.63745E-04  2.23118E-04  2.84481E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.38275E-03 -1.03026E-18  2.79738E-04  2.08428E-19
   dip-dip -2.93495E-17  0.00000E+00 -2.40810E-17  0.00000E+00
   dip-qua -1.38275E-03 -1.03026E-18  2.79738E-04  2.08428E-19
   qua-qua -1.08869E-18  0.00000E+00 -6.03346E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -4.20000 eV

 Vmoy = -16.56668 eV, Vmftabs = -19.96218 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.084E-05  2.727E-07    1.199E-02 -3.014E-04    2.245E-03 -5.649E-05
  1  0    1  1      1.017E-03 -3.738E-06   -2.601E-02  9.591E-05   -2.945E-03  1.093E-05
  2  0    1  1      3.573E-04 -2.924E-06   -1.493E-02  1.224E-04   -2.857E-03  2.345E-05
  3  0    1  1      7.870E-06 -1.360E-07   -4.344E-04  7.511E-06   -1.068E-04  1.849E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1965771623E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1965771623E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2078802707E-03

 Tensor_dq(1,ks,j2), prototypical atom
  7.5896169475E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.5896169475E-05  7.8360728689E-06
  0.0000000000E+00  7.8360728689E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -7.5896169475E-05 -7.8360728689E-06
 -7.5896169475E-05  0.0000000000E+00  0.0000000000E+00
 -7.8360728689E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  6.2799594663E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4245506454E-05 -8.4346508140E-06
  0.0000000000E+00 -8.4346508140E-06 -8.7600646905E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.3522550558E-05 -8.4346508140E-06
  4.3522550558E-05  0.0000000000E+00  0.0000000000E+00
 -8.4346508140E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -8.4346508140E-06  5.3055936134E-05
 -8.4346508140E-06  0.0000000000E+00  0.0000000000E+00
  5.3055936134E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.3522550558E-05 -8.4346508140E-06
  4.3522550558E-05  0.0000000000E+00  0.0000000000E+00
 -8.4346508140E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.4245506454E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2799594663E-05  8.4346508140E-06
  0.0000000000E+00  8.4346508140E-06 -8.7600646905E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -8.4346508140E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4346508140E-06  5.3055936134E-05
  0.0000000000E+00  5.3055936134E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -8.4346508140E-06  5.3055936134E-05
 -8.4346508140E-06  0.0000000000E+00  0.0000000000E+00
  5.3055936134E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -8.4346508140E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4346508140E-06  5.3055936134E-05
  0.0000000000E+00  5.3055936134E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -8.7600646905E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.7600646905E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.8757333775E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3179462974E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3179462974E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.2472816241E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  3.7679756798E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4547303872E-04 -5.0607904884E-05
  0.0000000000E+00 -5.0607904884E-05 -5.2560388143E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.6113530335E-04 -5.0607904884E-05
  2.6113530335E-04  0.0000000000E+00  0.0000000000E+00
 -5.0607904884E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -5.0607904884E-05  3.1833561681E-04
 -5.0607904884E-05  0.0000000000E+00  0.0000000000E+00
  3.1833561681E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.6113530335E-04 -5.0607904884E-05
  2.6113530335E-04  0.0000000000E+00  0.0000000000E+00
 -5.0607904884E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.4547303872E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7679756798E-04  5.0607904884E-05
  0.0000000000E+00  5.0607904884E-05 -5.2560388143E-05

 Crystal Tensor_qq(ke,je,3,2)
 -5.0607904884E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0607904884E-05  3.1833561681E-04
  0.0000000000E+00  3.1833561681E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -5.0607904884E-05  3.1833561681E-04
 -5.0607904884E-05  0.0000000000E+00  0.0000000000E+00
  3.1833561681E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -5.0607904884E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0607904884E-05  3.1833561681E-04
  0.0000000000E+00  3.1833561681E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.2560388143E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.2560388143E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.1254400265E-04

 Convertion factor = 110.26381 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -4.200  1.34406E-02  1.34406E-02  1.34978E-02  1.04370E-02  7.56562E-03  1.04370E-02  1.14761E-02
   dip-dip  1.31795E-02  1.31795E-02  1.31795E-02  1.02134E-02  7.24728E-03  1.02134E-02  1.12021E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.61135E-04  2.61135E-04  3.18336E-04  2.23616E-04  3.18336E-04  2.23616E-04  2.74010E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.42165E-03 -1.05924E-18 -7.35578E-04 -5.48065E-19
   dip-dip -3.69097E-17  0.00000E+00 -3.02841E-17  0.00000E+00
   dip-qua -1.42165E-03 -1.05924E-18 -7.35578E-04 -5.48065E-19
   qua-qua -1.08744E-18  0.00000E+00 -5.54985E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -4.00000 eV

 Vmoy = -16.56741 eV, Vmftabs = -19.95971 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.029E-05  2.459E-07    1.138E-02 -2.719E-04    2.132E-03 -5.096E-05
  1  0    1  1      1.012E-03 -3.462E-06   -2.587E-02  8.884E-05   -2.929E-03  1.012E-05
  2  0    1  1      3.515E-04 -2.753E-06   -1.469E-02  1.152E-04   -2.810E-03  2.208E-05
  3  0    1  1      7.609E-06 -1.278E-07   -4.199E-04  7.060E-06   -1.033E-04  1.738E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.4943757787E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4943757787E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2281020050E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.2482972602E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2482972602E-04  8.4917706272E-06
  0.0000000000E+00  8.4917706272E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.2482972602E-04 -8.4917706272E-06
 -1.2482972602E-04  0.0000000000E+00  0.0000000000E+00
 -8.4917706272E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  6.8476899338E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0404571709E-05 -6.8363968277E-06
  0.0000000000E+00 -6.8363968277E-06 -7.0666020555E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.9440735523E-05 -6.8363968277E-06
  4.9440735523E-05  0.0000000000E+00  0.0000000000E+00
 -6.8363968277E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -6.8363968277E-06  4.6945205596E-05
 -6.8363968277E-06  0.0000000000E+00  0.0000000000E+00
  4.6945205596E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.9440735523E-05 -6.8363968277E-06
  4.9440735523E-05  0.0000000000E+00  0.0000000000E+00
 -6.8363968277E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.0404571709E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8476899338E-05  6.8363968277E-06
  0.0000000000E+00  6.8363968277E-06 -7.0666020555E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -6.8363968277E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8363968277E-06  4.6945205596E-05
  0.0000000000E+00  4.6945205596E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -6.8363968277E-06  4.6945205596E-05
 -6.8363968277E-06  0.0000000000E+00  0.0000000000E+00
  4.6945205596E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -6.8363968277E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8363968277E-06  4.6945205596E-05
  0.0000000000E+00  4.6945205596E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -7.0666020555E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.0666020555E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.1529013815E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.4966254672E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4966254672E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.3686120300E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.1086139603E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8242743025E-04 -4.1018380966E-05
  0.0000000000E+00 -4.1018380966E-05 -4.2399612333E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.9664441314E-04 -4.1018380966E-05
  2.9664441314E-04  0.0000000000E+00  0.0000000000E+00
 -4.1018380966E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.1018380966E-05  2.8167123358E-04
 -4.1018380966E-05  0.0000000000E+00  0.0000000000E+00
  2.8167123358E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.9664441314E-04 -4.1018380966E-05
  2.9664441314E-04  0.0000000000E+00  0.0000000000E+00
 -4.1018380966E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.8242743025E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1086139603E-04  4.1018380966E-05
  0.0000000000E+00  4.1018380966E-05 -4.2399612333E-05

 Crystal Tensor_qq(ke,je,3,2)
 -4.1018380966E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1018380966E-05  2.8167123358E-04
  0.0000000000E+00  2.8167123358E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.1018380966E-05  2.8167123358E-04
 -4.1018380966E-05  0.0000000000E+00  0.0000000000E+00
  2.8167123358E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.1018380966E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1018380966E-05  2.8167123358E-04
  0.0000000000E+00  2.8167123358E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.2399612333E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2399612333E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2917408289E-04

 Convertion factor = 110.26668 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -4.000  1.52629E-02  1.52629E-02  1.52479E-02  1.13986E-02  7.65028E-03  1.13986E-02  1.27069E-02
   dip-dip  1.49663E-02  1.49663E-02  1.49663E-02  1.11674E-02  7.36861E-03  1.11674E-02  1.24337E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.96644E-04  2.96644E-04  2.81671E-04  2.31209E-04  2.81671E-04  2.31209E-04  2.73206E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.66281E-03 -1.23893E-18 -1.85893E-03 -1.38505E-18
   dip-dip -4.72734E-17  0.00000E+00 -3.87874E-17  0.00000E+00
   dip-qua -1.66281E-03 -1.23893E-18 -1.85893E-03 -1.38505E-18
   qua-qua -1.11651E-18  0.00000E+00 -5.18017E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -3.80000 eV

 Vmoy = -16.56780 eV, Vmftabs = -19.95727 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -9.799E-06  2.230E-07    1.083E-02 -2.465E-04    2.030E-03 -4.622E-05
  1  0    1  1      1.007E-03 -3.199E-06   -2.574E-02  8.211E-05   -2.914E-03  9.362E-06
  2  0    1  1      3.460E-04 -2.595E-06   -1.446E-02  1.086E-04   -2.766E-03  2.081E-05
  3  0    1  1      7.363E-06 -1.204E-07   -4.064E-04  6.646E-06   -9.994E-05  1.636E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.8903071707E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8903071707E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2496286147E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.8712528959E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8712528959E-04  1.0560832278E-05
  0.0000000000E+00  1.0560832278E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.8712528959E-04 -1.0560832278E-05
 -1.8712528959E-04  0.0000000000E+00  0.0000000000E+00
 -1.0560832278E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  7.6559512134E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8683833483E-05 -5.2196994140E-06
  0.0000000000E+00 -5.2196994140E-06 -5.5589072751E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.7621672808E-05 -5.2196994140E-06
  5.7621672808E-05  0.0000000000E+00  0.0000000000E+00
 -5.2196994140E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -5.2196994140E-06  4.1951571576E-05
 -5.2196994140E-06  0.0000000000E+00  0.0000000000E+00
  4.1951571576E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.7621672808E-05 -5.2196994140E-06
  5.7621672808E-05  0.0000000000E+00  0.0000000000E+00
 -5.2196994140E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.8683833483E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.6559512134E-05  5.2196994140E-06
  0.0000000000E+00  5.2196994140E-06 -5.5589072751E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -5.2196994140E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2196994140E-06  4.1951571576E-05
  0.0000000000E+00  4.1951571576E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -5.2196994140E-06  4.1951571576E-05
 -5.2196994140E-06  0.0000000000E+00  0.0000000000E+00
  4.1951571576E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -5.2196994140E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2196994140E-06  4.1951571576E-05
  0.0000000000E+00  4.1951571576E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.5589072751E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.5589072751E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.6284605334E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.7341843024E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7341843024E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.4977716880E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.5935707280E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3210300090E-04 -3.1318196484E-05
  0.0000000000E+00 -3.1318196484E-05 -3.3353443650E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.4573003685E-04 -3.1318196484E-05
  3.4573003685E-04  0.0000000000E+00  0.0000000000E+00
 -3.1318196484E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.1318196484E-05  2.5170942946E-04
 -3.1318196484E-05  0.0000000000E+00  0.0000000000E+00
  2.5170942946E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.4573003685E-04 -3.1318196484E-05
  3.4573003685E-04  0.0000000000E+00  0.0000000000E+00
 -3.1318196484E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.3210300090E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5935707280E-04  3.1318196484E-05
  0.0000000000E+00  3.1318196484E-05 -3.3353443650E-05

 Crystal Tensor_qq(ke,je,3,2)
 -3.1318196484E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1318196484E-05  2.5170942946E-04
  0.0000000000E+00  2.5170942946E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.1318196484E-05  2.5170942946E-04
 -3.1318196484E-05  0.0000000000E+00  0.0000000000E+00
  2.5170942946E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.1318196484E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1318196484E-05  2.5170942946E-04
  0.0000000000E+00  2.5170942946E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.3353443650E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3353443650E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.5770763200E-04

 Convertion factor = 110.26954 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -3.800  1.76876E-02  1.76876E-02  1.75936E-02  1.26658E-02  7.74948E-03  1.26658E-02  1.43420E-02
   dip-dip  1.73418E-02  1.73418E-02  1.73418E-02  1.24198E-02  7.49777E-03  1.24198E-02  1.40605E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.45730E-04  3.45730E-04  2.51709E-04  2.45943E-04  2.51709E-04  2.45943E-04  2.81512E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.15947E-03 -1.60898E-18 -3.10686E-03 -2.31486E-18
   dip-dip -6.12525E-17  0.00000E+00 -5.02571E-17  0.00000E+00
   dip-qua -2.15947E-03 -1.60898E-18 -3.10686E-03 -2.31486E-18
   qua-qua -1.16881E-18  0.00000E+00 -4.87124E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -3.60000 eV

 Vmoy = -16.56797 eV, Vmftabs = -19.95484 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -9.353E-06  2.032E-07    1.034E-02 -2.246E-04    1.937E-03 -4.211E-05
  1  0    1  1      1.002E-03 -2.948E-06   -2.561E-02  7.570E-05   -2.900E-03  8.635E-06
  2  0    1  1      3.408E-04 -2.447E-06   -1.424E-02  1.024E-04   -2.725E-03  1.963E-05
  3  0    1  1      7.131E-06 -1.135E-07   -3.936E-04  6.266E-06   -9.680E-05  1.542E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.3981929307E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3981929307E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2723887605E-03

 Tensor_dq(1,ks,j2), prototypical atom
  2.6298049644E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6298049644E-04  1.4323112571E-05
  0.0000000000E+00  1.4323112571E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -2.6298049644E-04 -1.4323112571E-05
 -2.6298049644E-04  0.0000000000E+00  0.0000000000E+00
 -1.4323112571E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  8.6655705388E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.8752818608E-05 -3.5077315118E-06
  0.0000000000E+00 -3.5077315118E-06 -4.1183434689E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.7704261998E-05 -3.5077315118E-06
  6.7704261998E-05  0.0000000000E+00  0.0000000000E+00
 -3.5077315118E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -3.5077315118E-06  3.7835089678E-05
 -3.5077315118E-06  0.0000000000E+00  0.0000000000E+00
  3.7835089678E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.7704261998E-05 -3.5077315118E-06
  6.7704261998E-05  0.0000000000E+00  0.0000000000E+00
 -3.5077315118E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.8752818608E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.6655705388E-05  3.5077315118E-06
  0.0000000000E+00  3.5077315118E-06 -4.1183434689E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -3.5077315118E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5077315118E-06  3.7835089678E-05
  0.0000000000E+00  3.7835089678E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -3.5077315118E-06  3.7835089678E-05
 -3.5077315118E-06  0.0000000000E+00  0.0000000000E+00
  3.7835089678E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -3.5077315118E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5077315118E-06  3.7835089678E-05
  0.0000000000E+00  3.7835089678E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.1183434689E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.1183434689E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.3292782737E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0389157584E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0389157584E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.6343325631E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  5.1993423233E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9251691165E-04 -2.1046389071E-05
  0.0000000000E+00 -2.1046389071E-05 -2.4710060813E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.0622557199E-04 -2.1046389071E-05
  4.0622557199E-04  0.0000000000E+00  0.0000000000E+00
 -2.1046389071E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.1046389071E-05  2.2701053807E-04
 -2.1046389071E-05  0.0000000000E+00  0.0000000000E+00
  2.2701053807E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.0622557199E-04 -2.1046389071E-05
  4.0622557199E-04  0.0000000000E+00  0.0000000000E+00
 -2.1046389071E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.9251691165E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1993423233E-04  2.1046389071E-05
  0.0000000000E+00  2.1046389071E-05 -2.4710060813E-05

 Crystal Tensor_qq(ke,je,3,2)
 -2.1046389071E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1046389071E-05  2.2701053807E-04
  0.0000000000E+00  2.2701053807E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.1046389071E-05  2.2701053807E-04
 -2.1046389071E-05  0.0000000000E+00  0.0000000000E+00
  2.2701053807E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.1046389071E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1046389071E-05  2.2701053807E-04
  0.0000000000E+00  2.2701053807E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.4710060813E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4710060813E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.9975669642E-04

 Convertion factor = 110.27240 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -3.600  2.07954E-02  2.07954E-02  2.06162E-02  1.42790E-02  7.86134E-03  1.42790E-02  1.64350E-02
   dip-dip  2.03892E-02  2.03892E-02  2.03892E-02  1.40117E-02  7.63433E-03  1.40117E-02  1.61375E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.06226E-04  4.06226E-04  2.27011E-04  2.67278E-04  2.27011E-04  2.67278E-04  2.97487E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.95523E-03 -2.20189E-18 -4.44300E-03 -3.31040E-18
   dip-dip -7.93660E-17  0.00000E+00 -6.51191E-17  0.00000E+00
   dip-qua -2.95523E-03 -2.20189E-18 -4.44300E-03 -3.31040E-18
   qua-qua -1.22972E-18  0.00000E+00 -4.55908E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -3.40000 eV

 Vmoy = -16.56797 eV, Vmftabs = -19.95243 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -8.946E-06  1.859E-07    9.891E-03 -2.055E-04    1.853E-03 -3.853E-05
  1  0    1  1      9.977E-04 -2.708E-06   -2.550E-02  6.956E-05   -2.888E-03  7.940E-06
  2  0    1  1      3.360E-04 -2.310E-06   -1.404E-02  9.668E-05   -2.686E-03  1.853E-05
  3  0    1  1      6.913E-06 -1.071E-07   -3.815E-04  5.915E-06   -9.383E-05  1.456E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.0059214252E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0059214252E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2963142483E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.4736615056E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4736615056E-04  1.9757463563E-05
  0.0000000000E+00  1.9757463563E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.4736615056E-04 -1.9757463563E-05
 -3.4736615056E-04  0.0000000000E+00  0.0000000000E+00
 -1.9757463563E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  9.7433934125E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.9326483517E-05 -1.7035370395E-06
  0.0000000000E+00 -1.7035370395E-06 -2.5996652986E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.8380208821E-05 -1.7035370395E-06
  7.8380208821E-05  0.0000000000E+00  0.0000000000E+00
 -1.7035370395E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.7035370395E-06  3.4418836197E-05
 -1.7035370395E-06  0.0000000000E+00  0.0000000000E+00
  3.4418836197E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.8380208821E-05 -1.7035370395E-06
  7.8380208821E-05  0.0000000000E+00  0.0000000000E+00
 -1.7035370395E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -5.9326483517E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.7433934125E-05  1.7035370395E-06
  0.0000000000E+00  1.7035370395E-06 -2.5996652986E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.7035370395E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7035370395E-06  3.4418836197E-05
  0.0000000000E+00  3.4418836197E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.7035370395E-06  3.4418836197E-05
 -1.7035370395E-06  0.0000000000E+00  0.0000000000E+00
  3.4418836197E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.7035370395E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7035370395E-06  3.4418836197E-05
  0.0000000000E+00  3.4418836197E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.5996652986E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5996652986E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.2920589452E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.4035528551E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4035528551E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7778854899E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  5.8460360475E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5595890110E-04 -1.0221222237E-05
  0.0000000000E+00 -1.0221222237E-05 -1.5597991792E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.7028125293E-04 -1.0221222237E-05
  4.7028125293E-04  0.0000000000E+00  0.0000000000E+00
 -1.0221222237E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.0221222237E-05  2.0651301718E-04
 -1.0221222237E-05  0.0000000000E+00  0.0000000000E+00
  2.0651301718E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.7028125293E-04 -1.0221222237E-05
  4.7028125293E-04  0.0000000000E+00  0.0000000000E+00
 -1.0221222237E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.5595890110E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8460360475E-04  1.0221222237E-05
  0.0000000000E+00  1.0221222237E-05 -1.5597991792E-05

 Crystal Tensor_qq(ke,je,3,2)
 -1.0221222237E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0221222237E-05  2.0651301718E-04
  0.0000000000E+00  2.0651301718E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.0221222237E-05  2.0651301718E-04
 -1.0221222237E-05  0.0000000000E+00  0.0000000000E+00
  2.0651301718E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.0221222237E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0221222237E-05  2.0651301718E-04
  0.0000000000E+00  2.0651301718E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.5597991792E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5597991792E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.5752353671E-04

 Convertion factor = 110.27526 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -3.400  2.45058E-02  2.45058E-02  2.42420E-02  1.62000E-02  7.98440E-03  1.62000E-02  1.89339E-02
   dip-dip  2.40355E-02  2.40355E-02  2.40355E-02  1.59067E-02  7.77789E-03  1.59067E-02  1.86163E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.70281E-04  4.70281E-04  2.06513E-04  2.93331E-04  2.06513E-04  2.93331E-04  3.17587E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.03242E-03 -3.00448E-18 -5.74505E-03 -4.28053E-18
   dip-dip -1.01165E-16  0.00000E+00 -8.30047E-17  0.00000E+00
   dip-qua -4.03242E-03 -3.00448E-18 -5.74505E-03 -4.28053E-18
   qua-qua -1.27388E-18  0.00000E+00 -4.17216E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -3.20000 eV

 Vmoy = -16.56793 eV, Vmftabs = -19.95005 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -8.574E-06  1.708E-07    9.480E-03 -1.887E-04    1.776E-03 -3.538E-05
  1  0    1  1      9.939E-04 -2.478E-06   -2.541E-02  6.367E-05   -2.877E-03  7.273E-06
  2  0    1  1      3.314E-04 -2.181E-06   -1.385E-02  9.129E-05   -2.649E-03  1.750E-05
  3  0    1  1      6.706E-06 -1.012E-07   -3.701E-04  5.591E-06   -9.103E-05  1.376E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.6595844857E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6595844857E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3213306583E-03

 Tensor_dq(1,ks,j2), prototypical atom
  4.2832983086E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2832983086E-04  2.6200254181E-05
  0.0000000000E+00  2.6200254181E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -4.2832983086E-04 -2.6200254181E-05
 -4.2832983086E-04  0.0000000000E+00  0.0000000000E+00
 -2.6200254181E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0654017260E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.8075313401E-05  6.7706417547E-08
  0.0000000000E+00  6.7706417547E-08 -8.1497008183E-07

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.7307743000E-05  6.7706417547E-08
  8.7307743000E-05  0.0000000000E+00  0.0000000000E+00
  6.7706417547E-08  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  6.7706417547E-08  3.1563070722E-05
  6.7706417547E-08  0.0000000000E+00  0.0000000000E+00
  3.1563070722E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.7307743000E-05  6.7706417547E-08
  8.7307743000E-05  0.0000000000E+00  0.0000000000E+00
  6.7706417547E-08  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.8075313401E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0654017260E-04 -6.7706417547E-08
  0.0000000000E+00 -6.7706417547E-08 -8.1497008183E-07

 Tensor_qq(ke,je,3,2), prototypical atom
  6.7706417547E-08  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.7706417547E-08  3.1563070722E-05
  0.0000000000E+00  3.1563070722E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  6.7706417547E-08  3.1563070722E-05
  6.7706417547E-08  0.0000000000E+00  0.0000000000E+00
  3.1563070722E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  6.7706417547E-08  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.7706417547E-08  3.1563070722E-05
  0.0000000000E+00  3.1563070722E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -8.1497008183E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.1497008183E-07  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0561311885E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.7957506914E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7957506914E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.9279839501E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  6.3924103560E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0845188040E-04  4.0623850528E-07
  0.0000000000E+00  4.0623850528E-07 -4.8898204910E-06

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.2384645800E-04  4.0623850528E-07
  5.2384645800E-04  0.0000000000E+00  0.0000000000E+00
  4.0623850528E-07  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.0623850528E-07  1.8937842433E-04
  4.0623850528E-07  0.0000000000E+00  0.0000000000E+00
  1.8937842433E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.2384645800E-04  4.0623850528E-07
  5.2384645800E-04  0.0000000000E+00  0.0000000000E+00
  4.0623850528E-07  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.0845188040E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.3924103560E-04 -4.0623850528E-07
  0.0000000000E+00 -4.0623850528E-07 -4.8898204910E-06

 Crystal Tensor_qq(ke,je,3,2)
  4.0623850528E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0623850528E-07  1.8937842433E-04
  0.0000000000E+00  1.8937842433E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.0623850528E-07  1.8937842433E-04
  4.0623850528E-07  0.0000000000E+00  0.0000000000E+00
  1.8937842433E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.0623850528E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0623850528E-07  1.8937842433E-04
  0.0000000000E+00  1.8937842433E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.8898204910E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.8898204910E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.3367871308E-04

 Convertion factor = 110.27812 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -3.200  2.84814E-02  2.84814E-02  2.81469E-02  1.82634E-02  8.11736E-03  1.82634E-02  2.16169E-02
   dip-dip  2.79575E-02  2.79575E-02  2.79575E-02  1.79427E-02  7.92798E-03  1.79427E-02  2.12810E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  5.23846E-04  5.23846E-04  1.89378E-04  3.20675E-04  1.89378E-04  3.20675E-04  3.35880E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -5.25481E-03 -3.91526E-18 -6.81295E-03 -5.07621E-18
   dip-dip -1.24639E-16  0.00000E+00 -1.02265E-16  0.00000E+00
   dip-qua -5.25481E-03 -3.91526E-18 -6.81295E-03 -5.07621E-18
   qua-qua -1.27045E-18  0.00000E+00 -3.65867E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -3.00000 eV

 Vmoy = -16.56789 eV, Vmftabs = -19.94768 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -8.232E-06  1.573E-07    9.101E-03 -1.739E-04    1.705E-03 -3.260E-05
  1  0    1  1      9.905E-04 -2.257E-06   -2.532E-02  5.802E-05   -2.867E-03  6.632E-06
  2  0    1  1      3.270E-04 -2.060E-06   -1.367E-02  8.625E-05   -2.615E-03  1.653E-05
  3  0    1  1      6.511E-06 -9.581E-08   -3.593E-04  5.291E-06   -8.838E-05  1.302E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.2758390575E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2758390575E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3472980323E-03

 Tensor_dq(1,ks,j2), prototypical atom
  4.9084377152E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9084377152E-04  3.2341436018E-05
  0.0000000000E+00  3.2341436018E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -4.9084377152E-04 -3.2341436018E-05
 -4.9084377152E-04  0.0000000000E+00  0.0000000000E+00
 -3.2341436018E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.1153240563E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.2547303140E-05  1.5879971739E-06
  0.0000000000E+00  1.5879971739E-06  1.4808518406E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  9.2039854385E-05  1.5879971739E-06
  9.2039854385E-05  0.0000000000E+00  0.0000000000E+00
  1.5879971739E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.5879971739E-06  2.9148639495E-05
  1.5879971739E-06  0.0000000000E+00  0.0000000000E+00
  2.9148639495E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  9.2039854385E-05  1.5879971739E-06
  9.2039854385E-05  0.0000000000E+00  0.0000000000E+00
  1.5879971739E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.2547303140E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1153240563E-04 -1.5879971739E-06
  0.0000000000E+00 -1.5879971739E-06  1.4808518406E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  1.5879971739E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5879971739E-06  2.9148639495E-05
  0.0000000000E+00  2.9148639495E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.5879971739E-06  2.9148639495E-05
  1.5879971739E-06  0.0000000000E+00  0.0000000000E+00
  2.9148639495E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.5879971739E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5879971739E-06  2.9148639495E-05
  0.0000000000E+00  2.9148639495E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.4808518406E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4808518406E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2182279839E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.1655034345E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1655034345E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.0837881937E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  6.6919443379E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3528381884E-04  9.5279830434E-06
  0.0000000000E+00  9.5279830434E-06  8.8851110434E-06

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.5223912631E-04  9.5279830434E-06
  5.5223912631E-04  0.0000000000E+00  0.0000000000E+00
  9.5279830434E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  9.5279830434E-06  1.7489183697E-04
  9.5279830434E-06  0.0000000000E+00  0.0000000000E+00
  1.7489183697E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.5223912631E-04  9.5279830434E-06
  5.5223912631E-04  0.0000000000E+00  0.0000000000E+00
  9.5279830434E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.3528381884E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6919443379E-04 -9.5279830434E-06
  0.0000000000E+00 -9.5279830434E-06  8.8851110434E-06

 Crystal Tensor_qq(ke,je,3,2)
  9.5279830434E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.5279830434E-06  1.7489183697E-04
  0.0000000000E+00  1.7489183697E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  9.5279830434E-06  1.7489183697E-04
  9.5279830434E-06  0.0000000000E+00  0.0000000000E+00
  1.7489183697E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  9.5279830434E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.5279830434E-06  1.7489183697E-04
  0.0000000000E+00  1.7489183697E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  8.8851110434E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.8851110434E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.3093679031E-04

 Convertion factor = 110.28099 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -3.000  3.22073E-02  3.22073E-02  3.18299E-02  2.02150E-02  8.25868E-03  2.02150E-02  2.41441E-02
   dip-dip  3.16550E-02  3.16550E-02  3.16550E-02  1.98694E-02  8.08379E-03  1.98694E-02  2.37980E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  5.52239E-04  5.52239E-04  1.74892E-04  3.45590E-04  1.74892E-04  3.45590E-04  3.46194E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.37797E-03 -4.75211E-18 -7.46535E-03 -5.56230E-18
   dip-dip -1.46682E-16  0.00000E+00 -1.20351E-16  0.00000E+00
   dip-qua -6.37797E-03 -4.75211E-18 -7.46535E-03 -5.56230E-18
   qua-qua -1.20011E-18  0.00000E+00 -3.02704E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -2.80000 eV

 Vmoy = -16.56784 eV, Vmftabs = -19.94533 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -7.917E-06  1.454E-07    8.752E-03 -1.607E-04    1.640E-03 -3.013E-05
  1  0    1  1      9.875E-04 -2.044E-06   -2.524E-02  5.257E-05   -2.858E-03  6.015E-06
  2  0    1  1      3.229E-04 -1.947E-06   -1.350E-02  8.151E-05   -2.582E-03  1.563E-05
  3  0    1  1      6.327E-06 -9.077E-08   -3.492E-04  5.013E-06   -8.588E-05  1.234E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.7906728355E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7906728355E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3739879368E-03

 Tensor_dq(1,ks,j2), prototypical atom
  5.2586170039E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.2586170039E-04  3.6862674348E-05
  0.0000000000E+00  3.6862674348E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -5.2586170039E-04 -3.6862674348E-05
 -5.2586170039E-04  0.0000000000E+00  0.0000000000E+00
 -3.6862674348E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.1146142347E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.1729693235E-05  2.6772405279E-06
  0.0000000000E+00  2.6772405279E-06  4.5937615444E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  9.1595558354E-05  2.6772405279E-06
  9.1595558354E-05  0.0000000000E+00  0.0000000000E+00
  2.6772405279E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.6772405279E-06  2.7075702693E-05
  2.6772405279E-06  0.0000000000E+00  0.0000000000E+00
  2.7075702693E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  9.1595558354E-05  2.6772405279E-06
  9.1595558354E-05  0.0000000000E+00  0.0000000000E+00
  2.6772405279E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.1729693235E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1146142347E-04 -2.6772405279E-06
  0.0000000000E+00 -2.6772405279E-06  4.5937615444E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  2.6772405279E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6772405279E-06  2.7075702693E-05
  0.0000000000E+00  2.7075702693E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.6772405279E-06  2.7075702693E-05
  2.6772405279E-06  0.0000000000E+00  0.0000000000E+00
  2.7075702693E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.6772405279E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6772405279E-06  2.7075702693E-05
  0.0000000000E+00  2.7075702693E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  4.5937615444E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5937615444E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4187700923E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.4744037013E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4744037013E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.2439276206E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  6.6876854084E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3037815941E-04  1.6063443167E-05
  0.0000000000E+00  1.6063443167E-05  2.7562569266E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.4957335012E-04  1.6063443167E-05
  5.4957335012E-04  0.0000000000E+00  0.0000000000E+00
  1.6063443167E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.6063443167E-05  1.6245421616E-04
  1.6063443167E-05  0.0000000000E+00  0.0000000000E+00
  1.6245421616E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.4957335012E-04  1.6063443167E-05
  5.4957335012E-04  0.0000000000E+00  0.0000000000E+00
  1.6063443167E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.3037815941E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6876854084E-04 -1.6063443167E-05
  0.0000000000E+00 -1.6063443167E-05  2.7562569266E-05

 Crystal Tensor_qq(ke,je,3,2)
  1.6063443167E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6063443167E-05  1.6245421616E-04
  0.0000000000E+00  1.6245421616E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.6063443167E-05  1.6245421616E-04
  1.6063443167E-05  0.0000000000E+00  0.0000000000E+00
  1.6245421616E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.6063443167E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6063443167E-05  1.6245421616E-04
  0.0000000000E+00  1.6245421616E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  2.7562569266E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7562569266E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.5126205540E-04

 Convertion factor = 110.28385 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -2.800  3.52936E-02  3.52936E-02  3.49065E-02  2.18602E-02  8.40638E-03  2.18602E-02  2.62565E-02
   dip-dip  3.47440E-02  3.47440E-02  3.47440E-02  2.14940E-02  8.24393E-03  2.14940E-02  2.59107E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  5.49573E-04  5.49573E-04  1.62454E-04  3.66226E-04  1.62454E-04  3.66226E-04  3.45833E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.17338E-03 -5.34475E-18 -7.67126E-03 -5.71572E-18
   dip-dip -1.64912E-16  0.00000E+00 -1.35309E-16  0.00000E+00
   dip-qua -7.17338E-03 -5.34475E-18 -7.67126E-03 -5.71572E-18
   qua-qua -1.07075E-18  0.00000E+00 -2.35259E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -2.60000 eV

 Vmoy = -16.56777 eV, Vmftabs = -19.94299 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -7.625E-06  1.348E-07    8.430E-03 -1.489E-04    1.579E-03 -2.793E-05
  1  0    1  1      9.850E-04 -1.838E-06   -2.518E-02  4.731E-05   -2.851E-03  5.420E-06
  2  0    1  1      3.190E-04 -1.841E-06   -1.333E-02  7.706E-05   -2.550E-03  1.477E-05
  3  0    1  1      6.152E-06 -8.610E-08   -3.395E-04  4.754E-06   -8.350E-05  1.170E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.1966617443E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1966617443E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4010661307E-03

 Tensor_dq(1,ks,j2), prototypical atom
  5.3526399407E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.3526399407E-04  3.9159637012E-05
  0.0000000000E+00  3.9159637012E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -5.3526399407E-04 -3.9159637012E-05
 -5.3526399407E-04  0.0000000000E+00  0.0000000000E+00
 -3.9159637012E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0738552167E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.6543948733E-05  3.3043927503E-06
  0.0000000000E+00  3.3043927503E-06  8.8691239162E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.6964735201E-05  3.3043927503E-06
  8.6964735201E-05  0.0000000000E+00  0.0000000000E+00
  3.3043927503E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.3043927503E-06  2.5269866553E-05
  3.3043927503E-06  0.0000000000E+00  0.0000000000E+00
  2.5269866553E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.6964735201E-05  3.3043927503E-06
  8.6964735201E-05  0.0000000000E+00  0.0000000000E+00
  3.3043927503E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.6543948733E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0738552167E-04 -3.3043927503E-06
  0.0000000000E+00 -3.3043927503E-06  8.8691239162E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  3.3043927503E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3043927503E-06  2.5269866553E-05
  0.0000000000E+00  2.5269866553E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.3043927503E-06  2.5269866553E-05
  3.3043927503E-06  0.0000000000E+00  0.0000000000E+00
  2.5269866553E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.3043927503E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3043927503E-06  2.5269866553E-05
  0.0000000000E+00  2.5269866553E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  8.8691239162E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.8691239162E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6574180773E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.7179970466E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7179970466E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.4063967843E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  6.4431313002E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.9926369240E-04  1.9826356502E-05
  0.0000000000E+00  1.9826356502E-05  5.3214743497E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.2178841121E-04  1.9826356502E-05
  5.2178841121E-04  0.0000000000E+00  0.0000000000E+00
  1.9826356502E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.9826356502E-05  1.5161919932E-04
  1.9826356502E-05  0.0000000000E+00  0.0000000000E+00
  1.5161919932E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.2178841121E-04  1.9826356502E-05
  5.2178841121E-04  0.0000000000E+00  0.0000000000E+00
  1.9826356502E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.9926369240E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.4431313002E-04 -1.9826356502E-05
  0.0000000000E+00 -1.9826356502E-05  5.3214743497E-05

 Crystal Tensor_qq(ke,je,3,2)
  1.9826356502E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9826356502E-05  1.5161919932E-04
  0.0000000000E+00  1.5161919932E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.9826356502E-05  1.5161919932E-04
  1.9826356502E-05  0.0000000000E+00  0.0000000000E+00
  1.5161919932E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.9826356502E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9826356502E-05  1.5161919932E-04
  0.0000000000E+00  1.5161919932E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  5.3214743497E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3214743497E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.9445084639E-04

 Convertion factor = 110.28671 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -2.600  3.77018E-02  3.77018E-02  3.73316E-02  2.31763E-02  8.55802E-03  2.31763E-02  2.79255E-02
   dip-dip  3.71800E-02  3.71800E-02  3.71800E-02  2.27932E-02  8.40640E-03  2.27932E-02  2.75888E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  5.21788E-04  5.21788E-04  1.51619E-04  3.83084E-04  1.51619E-04  3.83084E-04  3.36733E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.55351E-03 -5.62799E-18 -7.56678E-03 -5.63787E-18
   dip-dip -1.79065E-16  0.00000E+00 -1.46921E-16  0.00000E+00
   dip-qua -7.55351E-03 -5.62799E-18 -7.56678E-03 -5.63787E-18
   qua-qua -9.11508E-19  0.00000E+00 -1.72786E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -2.40000 eV

 Vmoy = -16.56770 eV, Vmftabs = -19.94068 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -7.354E-06  1.252E-07    8.130E-03 -1.384E-04    1.523E-03 -2.595E-05
  1  0    1  1      9.828E-04 -1.639E-06   -2.512E-02  4.222E-05   -2.844E-03  4.843E-06
  2  0    1  1      3.153E-04 -1.740E-06   -1.318E-02  7.287E-05   -2.521E-03  1.397E-05
  3  0    1  1      5.986E-06 -8.175E-08   -3.303E-04  4.514E-06   -8.125E-05  1.111E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.5290677078E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.5290677078E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4280920786E-03

 Tensor_dq(1,ks,j2), prototypical atom
  5.2765277531E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.2765277531E-04  3.9392922466E-05
  0.0000000000E+00  3.9392922466E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -5.2765277531E-04 -3.9392922466E-05
 -5.2765277531E-04  0.0000000000E+00  0.0000000000E+00
 -3.9392922466E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0132457015E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.8792114335E-05  3.5659442563E-06
  0.0000000000E+00  3.5659442563E-06  1.4624303809E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.0058342240E-05  3.5659442563E-06
  8.0058342240E-05  0.0000000000E+00  0.0000000000E+00
  3.5659442563E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.5659442563E-06  2.3682017255E-05
  3.5659442563E-06  0.0000000000E+00  0.0000000000E+00
  2.3682017255E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.0058342240E-05  3.5659442563E-06
  8.0058342240E-05  0.0000000000E+00  0.0000000000E+00
  3.5659442563E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -5.8792114335E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0132457015E-04 -3.5659442563E-06
  0.0000000000E+00 -3.5659442563E-06  1.4624303809E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.5659442563E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5659442563E-06  2.3682017255E-05
  0.0000000000E+00  2.3682017255E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.5659442563E-06  2.3682017255E-05
  3.5659442563E-06  0.0000000000E+00  0.0000000000E+00
  2.3682017255E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.5659442563E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5659442563E-06  2.3682017255E-05
  0.0000000000E+00  2.3682017255E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.4624303809E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4624303809E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9267621109E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.9174406247E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9174406247E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.5685524714E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  6.0794742087E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5275268601E-04  2.1395665538E-05
  0.0000000000E+00  2.1395665538E-05  8.7745822856E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.8035005344E-04  2.1395665538E-05
  4.8035005344E-04  0.0000000000E+00  0.0000000000E+00
  2.1395665538E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.1395665538E-05  1.4209210353E-04
  2.1395665538E-05  0.0000000000E+00  0.0000000000E+00
  1.4209210353E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.8035005344E-04  2.1395665538E-05
  4.8035005344E-04  0.0000000000E+00  0.0000000000E+00
  2.1395665538E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.5275268601E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.0794742087E-04 -2.1395665538E-05
  0.0000000000E+00 -2.1395665538E-05  8.7745822856E-05

 Crystal Tensor_qq(ke,je,3,2)
  2.1395665538E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1395665538E-05  1.4209210353E-04
  0.0000000000E+00  1.4209210353E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.1395665538E-05  1.4209210353E-04
  2.1395665538E-05  0.0000000000E+00  0.0000000000E+00
  1.4209210353E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.1395665538E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1395665538E-05  1.4209210353E-04
  0.0000000000E+00  1.4209210353E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  8.7745822856E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7745822856E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1560572665E-03

 Convertion factor = 110.28957 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -2.400  3.96548E-02  3.96548E-02  3.93165E-02  2.42686E-02  8.71064E-03  2.42686E-02  2.92953E-02
   dip-dip  3.91744E-02  3.91744E-02  3.91744E-02  2.38715E-02  8.56855E-03  2.38715E-02  2.89725E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.80350E-04  4.80350E-04  1.42092E-04  3.97128E-04  1.42092E-04  3.97128E-04  3.22854E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.56772E-03 -5.63857E-18 -7.34271E-03 -5.47092E-18
   dip-dip -1.90473E-16  0.00000E+00 -1.56281E-16  0.00000E+00
   dip-qua -7.56772E-03 -5.63857E-18 -7.34271E-03 -5.47092E-18
   qua-qua -7.52065E-19  0.00000E+00 -1.20918E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -2.20000 eV

 Vmoy = -16.56761 eV, Vmftabs = -19.93838 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -7.102E-06  1.166E-07    7.852E-03 -1.289E-04    1.471E-03 -2.417E-05
  1  0    1  1      9.811E-04 -1.446E-06   -2.507E-02  3.729E-05   -2.839E-03  4.284E-06
  2  0    1  1      3.118E-04 -1.646E-06   -1.303E-02  6.892E-05   -2.493E-03  1.322E-05
  3  0    1  1      5.828E-06 -7.770E-08   -3.216E-04  4.290E-06   -7.910E-05  1.056E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.8277063279E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8277063279E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4545570045E-03

 Tensor_dq(1,ks,j2), prototypical atom
  5.1150395150E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1150395150E-04  3.8042252921E-05
  0.0000000000E+00  3.8042252921E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -5.1150395150E-04 -3.8042252921E-05
 -5.1150395150E-04  0.0000000000E+00  0.0000000000E+00
 -3.8042252921E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  9.5042089904E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9963770187E-05  3.5936764175E-06
  0.0000000000E+00  3.5936764175E-06  2.2020881051E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.2502930045E-05  3.5936764175E-06
  7.2502930045E-05  0.0000000000E+00  0.0000000000E+00
  3.5936764175E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.5936764175E-06  2.2280440118E-05
  3.5936764175E-06  0.0000000000E+00  0.0000000000E+00
  2.2280440118E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.2502930045E-05  3.5936764175E-06
  7.2502930045E-05  0.0000000000E+00  0.0000000000E+00
  3.5936764175E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.9963770187E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.5042089904E-05 -3.5936764175E-06
  0.0000000000E+00 -3.5936764175E-06  2.2020881051E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.5936764175E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5936764175E-06  2.2280440118E-05
  0.0000000000E+00  2.2280440118E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.5936764175E-06  2.2280440118E-05
  3.5936764175E-06  0.0000000000E+00  0.0000000000E+00
  2.2280440118E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.5936764175E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5936764175E-06  2.2280440118E-05
  0.0000000000E+00  2.2280440118E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.2020881051E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2020881051E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2087810288E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.0966237967E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0966237967E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.7273420271E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  5.7025253942E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9978262112E-04  2.1562058505E-05
  0.0000000000E+00  2.1562058505E-05  1.3212528631E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.3501758027E-04  2.1562058505E-05
  4.3501758027E-04  0.0000000000E+00  0.0000000000E+00
  2.1562058505E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.1562058505E-05  1.3368264071E-04
  2.1562058505E-05  0.0000000000E+00  0.0000000000E+00
  1.3368264071E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.3501758027E-04  2.1562058505E-05
  4.3501758027E-04  0.0000000000E+00  0.0000000000E+00
  2.1562058505E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.9978262112E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7025253942E-04 -2.1562058505E-05
  0.0000000000E+00 -2.1562058505E-05  1.3212528631E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.1562058505E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1562058505E-05  1.3368264071E-04
  0.0000000000E+00  1.3368264071E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.1562058505E-05  1.3368264071E-04
  2.1562058505E-05  0.0000000000E+00  0.0000000000E+00
  1.3368264071E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.1562058505E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1562058505E-05  1.3368264071E-04
  0.0000000000E+00  1.3368264071E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.3212528631E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3212528631E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3252686173E-03

 Convertion factor = 110.29244 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -2.200  4.14013E-02  4.14013E-02  4.10999E-02  2.52546E-02  8.86102E-03  2.52546E-02  3.05272E-02
   dip-dip  4.09662E-02  4.09662E-02  4.09662E-02  2.48468E-02  8.72734E-03  2.48468E-02  3.02199E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.35018E-04  4.35018E-04  1.33683E-04  4.07818E-04  1.33683E-04  4.07818E-04  3.07230E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.31401E-03 -5.44954E-18 -7.13959E-03 -5.31958E-18
   dip-dip -2.00641E-16  0.00000E+00 -1.64624E-16  0.00000E+00
   dip-qua -7.31401E-03 -5.44954E-18 -7.13959E-03 -5.31958E-18
   qua-qua -6.09595E-19  0.00000E+00 -8.05964E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -2.00000 eV

 Vmoy = -16.56751 eV, Vmftabs = -19.93610 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.867E-06  1.089E-07    7.592E-03 -1.204E-04    1.422E-03 -2.257E-05
  1  0    1  1      9.797E-04 -1.258E-06   -2.504E-02  3.249E-05   -2.835E-03  3.741E-06
  2  0    1  1      3.085E-04 -1.557E-06   -1.289E-02  6.519E-05   -2.467E-03  1.250E-05
  3  0    1  1      5.678E-06 -7.392E-08   -3.133E-04  4.082E-06   -7.707E-05  1.005E-06

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.1137060131E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1137060131E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4799736548E-03

 Tensor_dq(1,ks,j2), prototypical atom
  4.9194887848E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9194887848E-04  3.5546002483E-05
  0.0000000000E+00  3.5546002483E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -4.9194887848E-04 -3.5546002483E-05
 -4.9194887848E-04  0.0000000000E+00  0.0000000000E+00
 -3.5546002483E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  8.9589491785E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0857431514E-05  3.4939111542E-06
  0.0000000000E+00  3.4939111542E-06  3.0900056419E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.5223461649E-05  3.4939111542E-06
  6.5223461649E-05  0.0000000000E+00  0.0000000000E+00
  3.4939111542E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.4939111542E-06  2.1042876117E-05
  3.4939111542E-06  0.0000000000E+00  0.0000000000E+00
  2.1042876117E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.5223461649E-05  3.4939111542E-06
  6.5223461649E-05  0.0000000000E+00  0.0000000000E+00
  3.4939111542E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.0857431514E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9589491785E-05 -3.4939111542E-06
  0.0000000000E+00 -3.4939111542E-06  3.0900056419E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.4939111542E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4939111542E-06  2.1042876117E-05
  0.0000000000E+00  2.1042876117E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.4939111542E-06  2.1042876117E-05
  3.4939111542E-06  0.0000000000E+00  0.0000000000E+00
  2.1042876117E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.4939111542E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4939111542E-06  2.1042876117E-05
  0.0000000000E+00  2.1042876117E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  3.0900056419E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0900056419E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4737440134E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.2682236079E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2682236079E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.8798419287E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  5.3753695071E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4514458908E-04  2.0963466925E-05
  0.0000000000E+00  2.0963466925E-05  1.8540033852E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.9134076990E-04  2.0963466925E-05
  3.9134076990E-04  0.0000000000E+00  0.0000000000E+00
  2.0963466925E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.0963466925E-05  1.2625725670E-04
  2.0963466925E-05  0.0000000000E+00  0.0000000000E+00
  1.2625725670E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.9134076990E-04  2.0963466925E-05
  3.9134076990E-04  0.0000000000E+00  0.0000000000E+00
  2.0963466925E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.4514458908E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3753695071E-04 -2.0963466925E-05
  0.0000000000E+00 -2.0963466925E-05  1.8540033852E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.0963466925E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0963466925E-05  1.2625725670E-04
  0.0000000000E+00  1.2625725670E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.0963466925E-05  1.2625725670E-04
  2.0963466925E-05  0.0000000000E+00  0.0000000000E+00
  1.2625725670E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.0963466925E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0963466925E-05  1.2625725670E-04
  0.0000000000E+00  1.2625725670E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.8540033852E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8540033852E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4842464080E-03

 Convertion factor = 110.29530 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -2.000  4.30736E-02  4.30736E-02  4.28085E-02  2.61938E-02  9.00610E-03  2.61938E-02  3.17058E-02
   dip-dip  4.26822E-02  4.26822E-02  4.26822E-02  2.57810E-02  8.87984E-03  2.57810E-02  3.14148E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.91341E-04  3.91341E-04  1.26257E-04  4.12746E-04  1.26257E-04  4.12746E-04  2.91015E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.87446E-03 -5.12203E-18 -7.02067E-03 -5.23097E-18
   dip-dip -2.10377E-16  0.00000E+00 -1.72612E-16  0.00000E+00
   dip-qua -6.87446E-03 -5.12203E-18 -7.02067E-03 -5.23097E-18
   qua-qua -4.88870E-19  0.00000E+00 -4.98969E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -1.80000 eV

 Vmoy = -16.56739 eV, Vmftabs = -19.93383 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.648E-06  1.019E-07    7.350E-03 -1.126E-04    1.377E-03 -2.112E-05
  1  0    1  1      9.787E-04 -1.075E-06   -2.501E-02  2.781E-05   -2.832E-03  3.211E-06
  2  0    1  1      3.054E-04 -1.473E-06   -1.276E-02  6.167E-05   -2.441E-03  1.183E-05
  3  0    1  1      5.535E-06 -7.039E-08   -3.054E-04  3.887E-06   -7.513E-05  9.569E-07

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.3876751461E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3876751461E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5039922685E-03

 Tensor_dq(1,ks,j2), prototypical atom
  4.7104623461E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7104623461E-04  3.2210076959E-05
  0.0000000000E+00  3.2210076959E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -4.7104623461E-04 -3.2210076959E-05
 -4.7104623461E-04  0.0000000000E+00  0.0000000000E+00
 -3.2210076959E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  8.5392624676E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1786489437E-05  3.3359934796E-06
  0.0000000000E+00  3.3359934796E-06  4.0677429906E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.8589557057E-05  3.3359934796E-06
  5.8589557057E-05  0.0000000000E+00  0.0000000000E+00
  3.3359934796E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.3359934796E-06  1.9951873108E-05
  3.3359934796E-06  0.0000000000E+00  0.0000000000E+00
  1.9951873108E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.8589557057E-05  3.3359934796E-06
  5.8589557057E-05  0.0000000000E+00  0.0000000000E+00
  3.3359934796E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.1786489437E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5392624676E-05 -3.3359934796E-06
  0.0000000000E+00 -3.3359934796E-06  4.0677429906E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.3359934796E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3359934796E-06  1.9951873108E-05
  0.0000000000E+00  1.9951873108E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.3359934796E-06  1.9951873108E-05
  3.3359934796E-06  0.0000000000E+00  0.0000000000E+00
  1.9951873108E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.3359934796E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3359934796E-06  1.9951873108E-05
  0.0000000000E+00  1.9951873108E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  4.0677429906E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0677429906E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6852071512E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.4326050876E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4326050876E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.0239536107E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  5.1235574806E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9071893662E-04  2.0015960878E-05
  0.0000000000E+00  2.0015960878E-05  2.4406457944E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.5153734234E-04  2.0015960878E-05
  3.5153734234E-04  0.0000000000E+00  0.0000000000E+00
  2.0015960878E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.0015960878E-05  1.1971123865E-04
  2.0015960878E-05  0.0000000000E+00  0.0000000000E+00
  1.1971123865E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.5153734234E-04  2.0015960878E-05
  3.5153734234E-04  0.0000000000E+00  0.0000000000E+00
  2.0015960878E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.9071893662E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1235574806E-04 -2.0015960878E-05
  0.0000000000E+00 -2.0015960878E-05  2.4406457944E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.0015960878E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0015960878E-05  1.1971123865E-04
  0.0000000000E+00  1.1971123865E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.0015960878E-05  1.1971123865E-04
  2.0015960878E-05  0.0000000000E+00  0.0000000000E+00
  1.1971123865E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.0015960878E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0015960878E-05  1.1971123865E-04
  0.0000000000E+00  1.1971123865E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  2.4406457944E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4406457944E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6111242907E-03

 Convertion factor = 110.29816 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -1.800  4.46776E-02  4.46776E-02  4.44458E-02  2.70838E-02  9.14366E-03  2.70838E-02  3.28328E-02
   dip-dip  4.43261E-02  4.43261E-02  4.43261E-02  2.66750E-02  9.02395E-03  2.66750E-02  3.25587E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.51537E-04  3.51537E-04  1.19711E-04  4.08838E-04  1.19711E-04  4.08838E-04  2.74087E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.30197E-03 -4.69548E-18 -6.99213E-03 -5.20971E-18
   dip-dip -2.19716E-16  0.00000E+00 -1.80275E-16  0.00000E+00
   dip-qua -6.30197E-03 -4.69548E-18 -6.99213E-03 -5.20971E-18
   qua-qua -3.87610E-19  0.00000E+00 -2.59533E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -1.60000 eV

 Vmoy = -16.56726 eV, Vmftabs = -19.93158 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.443E-06  9.554E-08    7.123E-03 -1.056E-04    1.335E-03 -1.980E-05
  1  0    1  1      9.780E-04 -8.970E-07   -2.499E-02  2.325E-05   -2.830E-03  2.695E-06
  2  0    1  1      3.024E-04 -1.393E-06   -1.264E-02  5.833E-05   -2.418E-03  1.119E-05
  3  0    1  1      5.399E-06 -6.709E-08   -2.979E-04  3.705E-06   -7.328E-05  9.121E-07

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.6391033151E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.6391033151E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5265549641E-03

 Tensor_dq(1,ks,j2), prototypical atom
  4.4923716568E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4923716568E-04  2.8263140859E-05
  0.0000000000E+00  2.8263140859E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -4.4923716568E-04 -2.8263140859E-05
 -4.4923716568E-04  0.0000000000E+00  0.0000000000E+00
 -2.8263140859E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  8.2467377940E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2889944191E-05  3.1626062476E-06
  0.0000000000E+00  3.1626062476E-06  5.0432540514E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.2678661065E-05  3.1626062476E-06
  5.2678661065E-05  0.0000000000E+00  0.0000000000E+00
  3.1626062476E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.1626062476E-06  1.8992973554E-05
  3.1626062476E-06  0.0000000000E+00  0.0000000000E+00
  1.8992973554E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.2678661065E-05  3.1626062476E-06
  5.2678661065E-05  0.0000000000E+00  0.0000000000E+00
  3.1626062476E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.2889944191E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.2467377940E-05 -3.1626062476E-06
  0.0000000000E+00 -3.1626062476E-06  5.0432540514E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.1626062476E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1626062476E-06  1.8992973554E-05
  0.0000000000E+00  1.8992973554E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.1626062476E-06  1.8992973554E-05
  3.1626062476E-06  0.0000000000E+00  0.0000000000E+00
  1.8992973554E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.1626062476E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1626062476E-06  1.8992973554E-05
  0.0000000000E+00  1.8992973554E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  5.0432540514E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0432540514E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8121034078E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.5834619891E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5834619891E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.1593297846E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.9480426764E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3733966514E-04  1.8975637485E-05
  0.0000000000E+00  1.8975637485E-05  3.0259524309E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.1607196639E-04  1.8975637485E-05
  3.1607196639E-04  0.0000000000E+00  0.0000000000E+00
  1.8975637485E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.8975637485E-05  1.1395784133E-04
  1.8975637485E-05  0.0000000000E+00  0.0000000000E+00
  1.1395784133E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.1607196639E-04  1.8975637485E-05
  3.1607196639E-04  0.0000000000E+00  0.0000000000E+00
  1.8975637485E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.3733966514E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9480426764E-04 -1.8975637485E-05
  0.0000000000E+00 -1.8975637485E-05  3.0259524309E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.8975637485E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8975637485E-05  1.1395784133E-04
  0.0000000000E+00  1.1395784133E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.8975637485E-05  1.1395784133E-04
  1.8975637485E-05  0.0000000000E+00  0.0000000000E+00
  1.1395784133E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.8975637485E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8975637485E-05  1.1395784133E-04
  0.0000000000E+00  1.1395784133E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.0259524309E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0259524309E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6872620447E-03

 Convertion factor = 110.30102 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -1.600  4.61507E-02  4.61507E-02  4.59486E-02  2.78912E-02  9.27329E-03  2.78912E-02  3.38656E-02
   dip-dip  4.58346E-02  4.58346E-02  4.58346E-02  2.74970E-02  9.15933E-03  2.74970E-02  3.36095E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.16072E-04  3.16072E-04  1.13958E-04  3.94219E-04  1.13958E-04  3.94219E-04  2.56066E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -5.63294E-03 -4.19700E-18 -7.03121E-03 -5.23882E-18
   dip-dip -2.28269E-16  0.00000E+00 -1.87292E-16  0.00000E+00
   dip-qua -5.63294E-03 -4.19700E-18 -7.03121E-03 -5.23882E-18
   qua-qua -3.01083E-19  0.00000E+00 -6.05854E-21  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -1.40000 eV

 Vmoy = -16.56710 eV, Vmftabs = -19.92935 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.250E-06  8.974E-08    6.910E-03 -9.919E-05    1.295E-03 -1.860E-05
  1  0    1  1      9.777E-04 -7.223E-07   -2.499E-02  1.879E-05   -2.829E-03  2.189E-06
  2  0    1  1      2.996E-04 -1.317E-06   -1.252E-02  5.517E-05   -2.395E-03  1.059E-05
  3  0    1  1      5.270E-06 -6.400E-08   -2.908E-04  3.534E-06   -7.152E-05  8.701E-07

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.8579998267E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.8579998267E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5480731233E-03

 Tensor_dq(1,ks,j2), prototypical atom
  4.2662351807E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2662351807E-04  2.3924554196E-05
  0.0000000000E+00  2.3924554196E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -4.2662351807E-04 -2.3924554196E-05
 -4.2662351807E-04  0.0000000000E+00  0.0000000000E+00
 -2.3924554196E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  8.0614644080E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4310036089E-05  3.0014596427E-06
  0.0000000000E+00  3.0014596427E-06  5.9224799102E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.7462340084E-05  3.0014596427E-06
  4.7462340084E-05  0.0000000000E+00  0.0000000000E+00
  3.0014596427E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.0014596427E-06  1.8153916631E-05
  3.0014596427E-06  0.0000000000E+00  0.0000000000E+00
  1.8153916631E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.7462340084E-05  3.0014596427E-06
  4.7462340084E-05  0.0000000000E+00  0.0000000000E+00
  3.0014596427E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.4310036089E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0614644080E-05 -3.0014596427E-06
  0.0000000000E+00 -3.0014596427E-06  5.9224799102E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.0014596427E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0014596427E-06  1.8153916631E-05
  0.0000000000E+00  1.8153916631E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.0014596427E-06  1.8153916631E-05
  3.0014596427E-06  0.0000000000E+00  0.0000000000E+00
  1.8153916631E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.0014596427E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0014596427E-06  1.8153916631E-05
  0.0000000000E+00  1.8153916631E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  5.9224799102E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9224799102E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8420790939E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.7147998960E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7147998960E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.2884387400E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.8368786448E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.5860216533E-05  1.8008757856E-05
  0.0000000000E+00  1.8008757856E-05  3.5534879461E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.8477404051E-04  1.8008757856E-05
  2.8477404051E-04  0.0000000000E+00  0.0000000000E+00
  1.8008757856E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.8008757856E-05  1.0892349978E-04
  1.8008757856E-05  0.0000000000E+00  0.0000000000E+00
  1.0892349978E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.8477404051E-04  1.8008757856E-05
  2.8477404051E-04  0.0000000000E+00  0.0000000000E+00
  1.8008757856E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -8.5860216533E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8368786448E-04 -1.8008757856E-05
  0.0000000000E+00 -1.8008757856E-05  3.5534879461E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.8008757856E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8008757856E-05  1.0892349978E-04
  0.0000000000E+00  1.0892349978E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.8008757856E-05  1.0892349978E-04
  1.8008757856E-05  0.0000000000E+00  0.0000000000E+00
  1.0892349978E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.8008757856E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8008757856E-05  1.0892349978E-04
  0.0000000000E+00  1.0892349978E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.5534879461E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5534879461E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7052474564E-03

 Convertion factor = 110.30388 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -1.400  4.74328E-02  4.74328E-02  4.72569E-02  2.85878E-02  9.39736E-03  2.85878E-02  3.47652E-02
   dip-dip  4.71480E-02  4.71480E-02  4.71480E-02  2.82182E-02  9.28844E-03  2.82182E-02  3.45281E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.84774E-04  2.84774E-04  1.08923E-04  3.69559E-04  1.08923E-04  3.69559E-04  2.37043E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.90138E-03 -3.65193E-18 -7.10806E-03 -5.29609E-18
   dip-dip -2.35646E-16  0.00000E+00 -1.93345E-16  0.00000E+00
   dip-qua -4.90138E-03 -3.65193E-18 -7.10806E-03 -5.29609E-18
   qua-qua -2.24679E-19  0.00000E+00  1.18837E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -1.20000 eV

 Vmoy = -16.56692 eV, Vmftabs = -19.92713 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.070E-06  8.445E-08    6.710E-03 -9.334E-05    1.257E-03 -1.750E-05
  1  0    1  1      9.777E-04 -5.511E-07   -2.499E-02  1.441E-05   -2.829E-03  1.694E-06
  2  0    1  1      2.970E-04 -1.245E-06   -1.241E-02  5.217E-05   -2.374E-03  1.001E-05
  3  0    1  1      5.146E-06 -6.111E-08   -2.840E-04  3.375E-06   -6.984E-05  8.308E-07

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.0431579913E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0431579913E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5696154562E-03

 Tensor_dq(1,ks,j2), prototypical atom
  4.0364378284E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0364378284E-04  1.9422620333E-05
  0.0000000000E+00  1.9422620333E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -4.0364378284E-04 -1.9422620333E-05
 -4.0364378284E-04  0.0000000000E+00  0.0000000000E+00
 -1.9422620333E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  7.9580986276E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.2078713884E-06  2.8722572737E-06
  0.0000000000E+00  2.8722572737E-06  6.6459902808E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.2894428832E-05  2.8722572737E-06
  4.2894428832E-05  0.0000000000E+00  0.0000000000E+00
  2.8722572737E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.8722572737E-06  1.7424081311E-05
  2.8722572737E-06  0.0000000000E+00  0.0000000000E+00
  1.7424081311E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.2894428832E-05  2.8722572737E-06
  4.2894428832E-05  0.0000000000E+00  0.0000000000E+00
  2.8722572737E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.2078713884E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9580986276E-05 -2.8722572737E-06
  0.0000000000E+00 -2.8722572737E-06  6.6459902808E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.8722572737E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8722572737E-06  1.7424081311E-05
  0.0000000000E+00  1.7424081311E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.8722572737E-06  1.7424081311E-05
  2.8722572737E-06  0.0000000000E+00  0.0000000000E+00
  1.7424081311E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.8722572737E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8722572737E-06  1.7424081311E-05
  0.0000000000E+00  1.7424081311E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  6.6459902808E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6459902808E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7864956927E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.8258947948E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8258947948E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.4176927375E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.7748591765E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7247228330E-05  1.7233543642E-05
  0.0000000000E+00  1.7233543642E-05  3.9875941685E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.5736657299E-04  1.7233543642E-05
  2.5736657299E-04  0.0000000000E+00  0.0000000000E+00
  1.7233543642E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.7233543642E-05  1.0454448787E-04
  1.7233543642E-05  0.0000000000E+00  0.0000000000E+00
  1.0454448787E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.5736657299E-04  1.7233543642E-05
  2.5736657299E-04  0.0000000000E+00  0.0000000000E+00
  1.7233543642E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.7247228330E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7748591765E-04 -1.7233543642E-05
  0.0000000000E+00 -1.7233543642E-05  3.9875941685E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.7233543642E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7233543642E-05  1.0454448787E-04
  0.0000000000E+00  1.0454448787E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.7233543642E-05  1.0454448787E-04
  1.7233543642E-05  0.0000000000E+00  0.0000000000E+00
  1.0454448787E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.7233543642E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7233543642E-05  1.0454448787E-04
  0.0000000000E+00  1.0454448787E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.9875941685E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9875941685E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6718974156E-03

 Convertion factor = 110.30675 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -1.200  4.85163E-02  4.85163E-02  4.83635E-02  2.91763E-02  9.52224E-03  2.91763E-02  3.55296E-02
   dip-dip  4.82589E-02  4.82589E-02  4.82589E-02  2.88383E-02  9.41769E-03  2.88383E-02  3.53119E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.57367E-04  2.57367E-04  1.04544E-04  3.37966E-04  1.04544E-04  3.37966E-04  2.17731E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.14362E-03 -3.08733E-18 -7.19991E-03 -5.36452E-18
   dip-dip -2.41762E-16  0.00000E+00 -1.98364E-16  0.00000E+00
   dip-qua -4.14362E-03 -3.08733E-18 -7.19991E-03 -5.36452E-18
   qua-qua -1.54828E-19  0.00000E+00  2.93093E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -1.00000 eV

 Vmoy = -16.56671 eV, Vmftabs = -19.92492 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.899E-06  7.961E-08    6.522E-03 -8.798E-05    1.222E-03 -1.650E-05
  1  0    1  1      9.780E-04 -3.829E-07   -2.499E-02  1.011E-05   -2.830E-03  1.207E-06
  2  0    1  1      2.944E-04 -1.177E-06   -1.230E-02  4.932E-05   -2.354E-03  9.466E-06
  3  0    1  1      5.028E-06 -5.839E-08   -2.774E-04  3.225E-06   -6.824E-05  7.939E-07

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.2041745484E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.2041745484E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5930793870E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.8118317089E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8118317089E-04  1.4960730754E-05
  0.0000000000E+00  1.4960730754E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.8118317089E-04 -1.4960730754E-05
 -3.8118317089E-04  0.0000000000E+00  0.0000000000E+00
 -1.4960730754E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  7.9170358255E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2989293471E-06  2.7899107358E-06
  0.0000000000E+00  2.7899107358E-06  7.2057578857E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.8935714454E-05  2.7899107358E-06
  3.8935714454E-05  0.0000000000E+00  0.0000000000E+00
  2.7899107358E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.7899107358E-06  1.6793625282E-05
  2.7899107358E-06  0.0000000000E+00  0.0000000000E+00
  1.6793625282E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.8935714454E-05  2.7899107358E-06
  3.8935714454E-05  0.0000000000E+00  0.0000000000E+00
  2.7899107358E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.2989293471E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9170358255E-05 -2.7899107358E-06
  0.0000000000E+00 -2.7899107358E-06  7.2057578857E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.7899107358E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.7899107358E-06  1.6793625282E-05
  0.0000000000E+00  1.6793625282E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.7899107358E-06  1.6793625282E-05
  2.7899107358E-06  0.0000000000E+00  0.0000000000E+00
  1.6793625282E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.7899107358E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.7899107358E-06  1.6793625282E-05
  0.0000000000E+00  1.6793625282E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  7.2057578857E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2057578857E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6734504254E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.9225047290E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9225047290E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.5584763218E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.7502214953E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.7935760828E-06  1.6739464415E-05
  0.0000000000E+00  1.6739464415E-05  4.3234547314E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.3361428672E-04  1.6739464415E-05
  2.3361428672E-04  0.0000000000E+00  0.0000000000E+00
  1.6739464415E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.6739464415E-05  1.0076175169E-04
  1.6739464415E-05  0.0000000000E+00  0.0000000000E+00
  1.0076175169E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.3361428672E-04  1.6739464415E-05
  2.3361428672E-04  0.0000000000E+00  0.0000000000E+00
  1.6739464415E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  7.7935760828E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7502214953E-04 -1.6739464415E-05
  0.0000000000E+00 -1.6739464415E-05  4.3234547314E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.6739464415E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6739464415E-05  1.0076175169E-04
  0.0000000000E+00  1.0076175169E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.6739464415E-05  1.0076175169E-04
  1.6739464415E-05  0.0000000000E+00  0.0000000000E+00
  1.0076175169E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.6739464415E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6739464415E-05  1.0076175169E-04
  0.0000000000E+00  1.0076175169E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.3234547314E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3234547314E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6040702552E-03

 Convertion factor = 110.30961 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -1.000  4.94587E-02  4.94587E-02  4.93258E-02  2.96954E-02  9.65924E-03  2.96954E-02  3.62020E-02
   dip-dip  4.92250E-02  4.92250E-02  4.92250E-02  2.93918E-02  9.55848E-03  2.93918E-02  3.60029E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.33614E-04  2.33614E-04  1.00762E-04  3.03600E-04  1.00762E-04  3.03600E-04  1.99136E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.39346E-03 -2.52841E-18 -7.29879E-03 -5.43820E-18
   dip-dip -2.46906E-16  0.00000E+00 -2.02584E-16  0.00000E+00
   dip-qua -3.39346E-03 -2.52841E-18 -7.29879E-03 -5.43820E-18
   qua-qua -8.89486E-20  0.00000E+00  4.71756E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -0.80000 eV

 Vmoy = -16.56648 eV, Vmftabs = -19.92273 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.739E-06  7.517E-08    6.345E-03 -8.307E-05    1.189E-03 -1.558E-05
  1  0    1  1      9.787E-04 -2.173E-07   -2.501E-02  5.882E-06   -2.831E-03  7.280E-07
  2  0    1  1      2.920E-04 -1.113E-06   -1.220E-02  4.661E-05   -2.334E-03  8.947E-06
  3  0    1  1      4.915E-06 -5.584E-08   -2.712E-04  3.084E-06   -6.671E-05  7.592E-07

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.3578410126E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3578410126E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6213249452E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.6035572235E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.6035572235E-04  1.0659917321E-05
  0.0000000000E+00  1.0659917321E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.6035572235E-04 -1.0659917321E-05
 -3.6035572235E-04  0.0000000000E+00  0.0000000000E+00
 -1.0659917321E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  7.9289505018E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.1854102525E-06  2.7659827941E-06
  0.0000000000E+00  2.7659827941E-06  7.6360164664E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.5552047383E-05  2.7659827941E-06
  3.5552047383E-05  0.0000000000E+00  0.0000000000E+00
  2.7659827941E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.7659827941E-06  1.6251504105E-05
  2.7659827941E-06  0.0000000000E+00  0.0000000000E+00
  1.6251504105E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.5552047383E-05  2.7659827941E-06
  3.5552047383E-05  0.0000000000E+00  0.0000000000E+00
  2.7659827941E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  8.1854102525E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9289505018E-05 -2.7659827941E-06
  0.0000000000E+00 -2.7659827941E-06  7.6360164664E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.7659827941E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.7659827941E-06  1.6251504105E-05
  0.0000000000E+00  1.6251504105E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.7659827941E-06  1.6251504105E-05
  2.7659827941E-06  0.0000000000E+00  0.0000000000E+00
  1.6251504105E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.7659827941E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.7659827941E-06  1.6251504105E-05
  0.0000000000E+00  1.6251504105E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  7.6360164664E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.6360164664E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5353142985E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.0147046076E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0147046076E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.7279496713E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.7573703011E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9112461515E-05  1.6595896764E-05
  0.0000000000E+00  1.6595896764E-05  4.5816098798E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.1331228430E-04  1.6595896764E-05
  2.1331228430E-04  0.0000000000E+00  0.0000000000E+00
  1.6595896764E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.6595896764E-05  9.7509024627E-05
  1.6595896764E-05  0.0000000000E+00  0.0000000000E+00
  9.7509024627E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.1331228430E-04  1.6595896764E-05
  2.1331228430E-04  0.0000000000E+00  0.0000000000E+00
  1.6595896764E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  4.9112461515E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7573703011E-04 -1.6595896764E-05
  0.0000000000E+00 -1.6595896764E-05  4.5816098798E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.6595896764E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6595896764E-05  9.7509024627E-05
  0.0000000000E+00  9.7509024627E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.6595896764E-05  9.7509024627E-05
  1.6595896764E-05  0.0000000000E+00  0.0000000000E+00
  9.7509024627E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.6595896764E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6595896764E-05  9.7509024627E-05
  0.0000000000E+00  9.7509024627E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.5816098798E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5816098798E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5211885791E-03

 Convertion factor = 110.31247 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -0.800  5.03604E-02  5.03604E-02  5.02446E-02  3.02076E-02  9.82546E-03  3.02076E-02  3.68562E-02
   dip-dip  5.01470E-02  5.01470E-02  5.01470E-02  2.99375E-02  9.72795E-03  2.99375E-02  3.66740E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.13312E-04  2.13312E-04  9.75090E-05  2.70151E-04  9.75090E-05  2.70151E-04  1.82148E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.67272E-03 -1.99139E-18 -7.41463E-03 -5.52451E-18
   dip-dip -2.51596E-16  0.00000E+00 -2.06433E-16  0.00000E+00
   dip-qua -2.67272E-03 -1.99139E-18 -7.41463E-03 -5.52451E-18
   qua-qua -2.50785E-20  0.00000E+00  6.61891E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -0.60000 eV

 Vmoy = -16.56620 eV, Vmftabs = -19.92056 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.588E-06  7.109E-08    6.178E-03 -7.856E-05    1.157E-03 -1.473E-05
  1  0    1  1      9.796E-04 -5.419E-08   -2.503E-02  1.713E-06   -2.834E-03  2.561E-07
  2  0    1  1      2.898E-04 -1.051E-06   -1.211E-02  4.403E-05   -2.316E-03  8.453E-06
  3  0    1  1      4.807E-06 -5.344E-08   -2.652E-04  2.951E-06   -6.524E-05  7.266E-07

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.5215304195E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5215304195E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6581932557E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.4219674160E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4219674160E-04  6.5132264826E-06
  0.0000000000E+00  6.5132264826E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.4219674160E-04 -6.5132264826E-06
 -3.4219674160E-04  0.0000000000E+00  0.0000000000E+00
 -6.5132264826E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  7.9934366092E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4517655107E-05  2.8087408738E-06
  0.0000000000E+00  2.8087408738E-06  7.9911643817E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.2708355492E-05  2.8087408738E-06
  3.2708355492E-05  0.0000000000E+00  0.0000000000E+00
  2.8087408738E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.8087408738E-06  1.5781909823E-05
  2.8087408738E-06  0.0000000000E+00  0.0000000000E+00
  1.5781909823E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.2708355492E-05  2.8087408738E-06
  3.2708355492E-05  0.0000000000E+00  0.0000000000E+00
  2.8087408738E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.4517655107E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9934366092E-05 -2.8087408738E-06
  0.0000000000E+00 -2.8087408738E-06  7.9911643817E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.8087408738E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8087408738E-06  1.5781909823E-05
  0.0000000000E+00  1.5781909823E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.8087408738E-06  1.5781909823E-05
  2.8087408738E-06  0.0000000000E+00  0.0000000000E+00
  1.5781909823E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.8087408738E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8087408738E-06  1.5781909823E-05
  0.0000000000E+00  1.5781909823E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  7.9911643817E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9911643817E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3991079250E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.1129182517E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1129182517E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.9491595341E-03

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.7960619655E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7105930643E-05  1.6852445243E-05
  0.0000000000E+00  1.6852445243E-05  4.7946986290E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.9625013295E-04  1.6852445243E-05
  1.9625013295E-04  0.0000000000E+00  0.0000000000E+00
  1.6852445243E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.6852445243E-05  9.4691458939E-05
  1.6852445243E-05  0.0000000000E+00  0.0000000000E+00
  9.4691458939E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.9625013295E-04  1.6852445243E-05
  1.9625013295E-04  0.0000000000E+00  0.0000000000E+00
  1.6852445243E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  8.7105930643E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7960619655E-04 -1.6852445243E-05
  0.0000000000E+00 -1.6852445243E-05  4.7946986290E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.6852445243E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6852445243E-05  9.4691458939E-05
  0.0000000000E+00  9.4691458939E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.6852445243E-05  9.4691458939E-05
  1.6852445243E-05  0.0000000000E+00  0.0000000000E+00
  9.4691458939E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.6852445243E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6852445243E-05  9.4691458939E-05
  0.0000000000E+00  9.4691458939E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.7946986290E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7946986290E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4394647550E-03

 Convertion factor = 110.31533 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -0.600  5.13254E-02  5.13254E-02  5.12239E-02  3.07792E-02  1.00439E-02  3.07792E-02  3.75698E-02
   dip-dip  5.11292E-02  5.11292E-02  5.11292E-02  3.05392E-02  9.94916E-03  3.05392E-02  3.74025E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.96250E-04  1.96250E-04  9.46915E-05  2.40033E-04  9.46915E-05  2.40033E-04  1.67302E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.98328E-03 -1.47771E-18 -7.57429E-03 -5.64346E-18
   dip-dip -2.56340E-16  0.00000E+00 -2.10324E-16  0.00000E+00
   dip-qua -1.98328E-03 -1.47771E-18 -7.57429E-03 -5.64346E-18
   qua-qua  3.82648E-20  0.00000E+00  8.68866E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -0.40000 eV

 Vmoy = -16.56589 eV, Vmftabs = -19.91840 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.445E-06  6.733E-08    6.020E-03 -7.441E-05    1.128E-03 -1.396E-05
  1  0    1  1      9.808E-04  1.070E-07   -2.506E-02 -2.405E-06   -2.837E-03 -2.100E-07
  2  0    1  1      2.876E-04 -9.919E-07   -1.202E-02  4.157E-05   -2.299E-03  7.982E-06
  3  0    1  1      4.704E-06 -5.118E-08   -2.595E-04  2.826E-06   -6.383E-05  6.959E-07

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.7077818821E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7077818821E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7085698203E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.2744668983E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2744668983E-04  2.4000291453E-06
  0.0000000000E+00  2.4000291453E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.2744668983E-04 -2.4000291453E-06
 -3.2744668983E-04  0.0000000000E+00  0.0000000000E+00
 -2.4000291453E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  8.1159552484E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0426810460E-05  2.9211821826E-06
  0.0000000000E+00  2.9211821826E-06  8.3277906636E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.0366371012E-05  2.9211821826E-06
  3.0366371012E-05  0.0000000000E+00  0.0000000000E+00
  2.9211821826E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.9211821826E-06  1.5359208642E-05
  2.9211821826E-06  0.0000000000E+00  0.0000000000E+00
  1.5359208642E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.0366371012E-05  2.9211821826E-06
  3.0366371012E-05  0.0000000000E+00  0.0000000000E+00
  2.9211821826E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.0426810460E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.1159552484E-05 -2.9211821826E-06
  0.0000000000E+00 -2.9211821826E-06  8.3277906636E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.9211821826E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9211821826E-06  1.5359208642E-05
  0.0000000000E+00  1.5359208642E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.9211821826E-06  1.5359208642E-05
  2.9211821826E-06  0.0000000000E+00  0.0000000000E+00
  1.5359208642E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.9211821826E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9211821826E-06  1.5359208642E-05
  0.0000000000E+00  1.5359208642E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  8.3277906636E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3277906636E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2830224751E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.2246691292E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2246691292E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0251418922E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.8695731491E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2256086276E-04  1.7527093095E-05
  0.0000000000E+00  1.7527093095E-05  4.9966743982E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.8219822607E-04  1.7527093095E-05
  1.8219822607E-04  0.0000000000E+00  0.0000000000E+00
  1.7527093095E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.7527093095E-05  9.2155251850E-05
  1.7527093095E-05  0.0000000000E+00  0.0000000000E+00
  9.2155251850E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.8219822607E-04  1.7527093095E-05
  1.8219822607E-04  0.0000000000E+00  0.0000000000E+00
  1.7527093095E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.2256086276E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8695731491E-04 -1.7527093095E-05
  0.0000000000E+00 -1.7527093095E-05  4.9966743982E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.7527093095E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7527093095E-05  9.2155251850E-05
  0.0000000000E+00  9.2155251850E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.7527093095E-05  9.2155251850E-05
  1.7527093095E-05  0.0000000000E+00  0.0000000000E+00
  9.2155251850E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.7527093095E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7527093095E-05  9.2155251850E-05
  0.0000000000E+00  9.2155251850E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.9966743982E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9966743982E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3698134850E-03

 Convertion factor = 110.31819 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -0.400  5.24289E-02  5.24289E-02  5.23388E-02  3.14634E-02  1.03436E-02  3.14634E-02  3.84030E-02
   dip-dip  5.22467E-02  5.22467E-02  5.22467E-02  3.12491E-02  1.02514E-02  3.12491E-02  3.82483E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.82198E-04  1.82198E-04  9.21553E-05  2.14359E-04  9.21553E-05  2.14359E-04  1.54757E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.30874E-03 -9.75121E-19 -7.81404E-03 -5.82210E-18
   dip-dip -2.61421E-16  0.00000E+00 -2.14494E-16  0.00000E+00
   dip-qua -1.30874E-03 -9.75121E-19 -7.81404E-03 -5.82210E-18
   qua-qua  1.01713E-19  0.00000E+00  1.09471E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  -0.20000 eV

 Vmoy = -16.56555 eV, Vmftabs = -19.91625 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.310E-06  6.385E-08    5.870E-03 -7.057E-05    1.100E-03 -1.324E-05
  1  0    1  1      9.823E-04  2.666E-07   -2.510E-02 -6.482E-06   -2.841E-03 -6.714E-07
  2  0    1  1      2.856E-04 -9.357E-07   -1.193E-02  3.922E-05   -2.283E-03  7.532E-06
  3  0    1  1      4.604E-06 -4.905E-08   -2.540E-04  2.709E-06   -6.249E-05  6.669E-07

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.9220313717E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9220313717E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7785273721E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.1647974741E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1647974741E-04 -1.7729929368E-06
  0.0000000000E+00 -1.7729929368E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.1647974741E-04  1.7729929368E-06
 -3.1647974741E-04  0.0000000000E+00  0.0000000000E+00
  1.7729929368E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  8.3050965948E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6080667822E-05  3.0977288868E-06
  0.0000000000E+00  3.0977288868E-06  8.6948610997E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.8485149063E-05  3.0977288868E-06
  2.8485149063E-05  0.0000000000E+00  0.0000000000E+00
  3.0977288868E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.0977288868E-06  1.4944650120E-05
  3.0977288868E-06  0.0000000000E+00  0.0000000000E+00
  1.4944650120E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.8485149063E-05  3.0977288868E-06
  2.8485149063E-05  0.0000000000E+00  0.0000000000E+00
  3.0977288868E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.6080667822E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3050965948E-05 -3.0977288868E-06
  0.0000000000E+00 -3.0977288868E-06  8.6948610997E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.0977288868E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0977288868E-06  1.4944650120E-05
  0.0000000000E+00  1.4944650120E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.0977288868E-06  1.4944650120E-05
  3.0977288868E-06  0.0000000000E+00  0.0000000000E+00
  1.4944650120E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.0977288868E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0977288868E-06  1.4944650120E-05
  0.0000000000E+00  1.4944650120E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  8.6948610997E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.6948610997E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1969787485E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.3532188230E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3532188230E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0671164232E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  4.9830579569E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5648400693E-04  1.8586373321E-05
  0.0000000000E+00  1.8586373321E-05  5.2169166598E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.7091089438E-04  1.8586373321E-05
  1.7091089438E-04  0.0000000000E+00  0.0000000000E+00
  1.8586373321E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.8586373321E-05  8.9667900721E-05
  1.8586373321E-05  0.0000000000E+00  0.0000000000E+00
  8.9667900721E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.7091089438E-04  1.8586373321E-05
  1.7091089438E-04  0.0000000000E+00  0.0000000000E+00
  1.8586373321E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.5648400693E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9830579569E-04 -1.8586373321E-05
  0.0000000000E+00 -1.8586373321E-05  5.2169166598E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.8586373321E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8586373321E-05  8.9667900721E-05
  0.0000000000E+00  8.9667900721E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.8586373321E-05  8.9667900721E-05
  1.8586373321E-05  0.0000000000E+00  0.0000000000E+00
  8.9667900721E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.8586373321E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8586373321E-05  8.9667900721E-05
  0.0000000000E+00  8.9667900721E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  5.2169166598E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2169166598E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3181872491E-03

 Convertion factor = 110.32106 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    -0.200  5.37031E-02  5.37031E-02  5.36219E-02  3.22950E-02  1.07608E-02  3.22950E-02  3.93896E-02
   dip-dip  5.35322E-02  5.35322E-02  5.35322E-02  3.21017E-02  1.06712E-02  3.21017E-02  3.92452E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.70911E-04  1.70911E-04  8.96679E-05  1.93277E-04  8.96679E-05  1.93277E-04  1.44378E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.35832E-04 -4.73747E-19 -8.15701E-03 -6.07764E-18
   dip-dip -2.66818E-16  0.00000E+00 -2.18921E-16  0.00000E+00
   dip-qua -6.35832E-04 -4.73747E-19 -8.15701E-03 -6.07764E-18
   qua-qua  1.64409E-19  0.00000E+00  1.33513E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   0.00000 eV

 Vmoy = -16.56520 eV, Vmftabs = -19.91412 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.182E-06  6.064E-08    5.729E-03 -6.701E-05    1.073E-03 -1.257E-05
  1  0    1  1      9.841E-04  4.249E-07   -2.514E-02 -1.053E-05   -2.846E-03 -1.129E-06
  2  0    1  1      2.837E-04 -8.819E-07   -1.185E-02  3.697E-05   -2.267E-03  7.102E-06
  3  0    1  1      4.509E-06 -4.704E-08   -2.488E-04  2.598E-06   -6.120E-05  6.396E-07

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.1641315877E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1641315877E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8755831680E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.0940136780E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0940136780E-04 -5.7587478041E-06
  0.0000000000E+00 -5.7587478041E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.0940136780E-04  5.7587478041E-06
 -3.0940136780E-04  0.0000000000E+00  0.0000000000E+00
  5.7587478041E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  8.5703305344E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1658500351E-05  3.3227939740E-06
  0.0000000000E+00  3.3227939740E-06  9.1287771179E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.7022402496E-05  3.3227939740E-06
  2.7022402496E-05  0.0000000000E+00  0.0000000000E+00
  3.3227939740E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.3227939740E-06  1.4490043129E-05
  3.3227939740E-06  0.0000000000E+00  0.0000000000E+00
  1.4490043129E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.7022402496E-05  3.3227939740E-06
  2.7022402496E-05  0.0000000000E+00  0.0000000000E+00
  3.3227939740E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.1658500351E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5703305344E-05 -3.3227939740E-06
  0.0000000000E+00 -3.3227939740E-06  9.1287771179E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.3227939740E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3227939740E-06  1.4490043129E-05
  0.0000000000E+00  1.4490043129E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.3227939740E-06  1.4490043129E-05
  3.3227939740E-06  0.0000000000E+00  0.0000000000E+00
  1.4490043129E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.3227939740E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3227939740E-06  1.4490043129E-05
  0.0000000000E+00  1.4490043129E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  9.1287771179E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1287771179E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1442889227E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.4984789526E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4984789526E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1253499008E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  5.1421983207E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8995100211E-04  1.9936763844E-05
  0.0000000000E+00  1.9936763844E-05  5.4772662708E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.6213441498E-04  1.9936763844E-05
  1.6213441498E-04  0.0000000000E+00  0.0000000000E+00
  1.9936763844E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.9936763844E-05  8.6940258772E-05
  1.9936763844E-05  0.0000000000E+00  0.0000000000E+00
  8.6940258772E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.6213441498E-04  1.9936763844E-05
  1.6213441498E-04  0.0000000000E+00  0.0000000000E+00
  1.9936763844E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.8995100211E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1421983207E-04 -1.9936763844E-05
  0.0000000000E+00 -1.9936763844E-05  5.4772662708E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.9936763844E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9936763844E-05  8.6940258772E-05
  0.0000000000E+00  8.6940258772E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.9936763844E-05  8.6940258772E-05
  1.9936763844E-05  0.0000000000E+00  0.0000000000E+00
  8.6940258772E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.9936763844E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9936763844E-05  8.6940258772E-05
  0.0000000000E+00  8.6940258772E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  5.4772662708E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4772662708E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2865733536E-03

 Convertion factor = 110.32392 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     0.000  5.51469E-02  5.51469E-02  5.50717E-02  3.32955E-02  1.13404E-02  3.32955E-02  4.05435E-02
   dip-dip  5.49848E-02  5.49848E-02  5.49848E-02  3.31191E-02  1.12535E-02  3.31191E-02  4.04077E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.62134E-04  1.62134E-04  8.69403E-05  1.76335E-04  8.69403E-05  1.76335E-04  1.35844E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.83419E-06 -2.11170E-21 -8.56936E-03 -6.38487E-18
   dip-dip -2.72242E-16  0.00000E+00 -2.23372E-16  0.00000E+00
   dip-qua -2.83419E-06 -2.11170E-21 -8.56936E-03 -6.38487E-18
   qua-qua  2.23808E-19  0.00000E+00  1.57834E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   0.50000 eV

 Vmoy = -16.56435 eV, Vmftabs = -19.90884 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.888E-06  5.356E-08    5.404E-03 -5.920E-05    1.012E-03 -1.110E-05
  1  0    1  1      9.899E-04  8.176E-07   -2.529E-02 -2.056E-05   -2.863E-03 -2.264E-06
  2  0    1  1      2.793E-04 -7.574E-07   -1.167E-02  3.176E-05   -2.233E-03  6.105E-06
  3  0    1  1      4.288E-06 -4.248E-08   -2.366E-04  2.346E-06   -5.819E-05  5.777E-07

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.8930415403E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.8930415403E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2989574971E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.0960128449E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0960128449E-04 -7.1289157313E-06
  0.0000000000E+00 -7.1289157313E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.0960128449E-04  7.1289157313E-06
 -3.0960128449E-04  0.0000000000E+00  0.0000000000E+00
  7.1289157313E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  9.5999278729E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6198383734E-05  3.9139150050E-06
  0.0000000000E+00  3.9139150050E-06  1.0584935003E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.4900447497E-05  3.9139150050E-06
  2.4900447497E-05  0.0000000000E+00  0.0000000000E+00
  3.9139150050E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.9139150050E-06  1.2906291985E-05
  3.9139150050E-06  0.0000000000E+00  0.0000000000E+00
  1.2906291985E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.4900447497E-05  3.9139150050E-06
  2.4900447497E-05  0.0000000000E+00  0.0000000000E+00
  3.9139150050E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  4.6198383734E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.5999278729E-05 -3.9139150050E-06
  0.0000000000E+00 -3.9139150050E-06  1.0584935003E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  3.9139150050E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.9139150050E-06  1.2906291985E-05
  0.0000000000E+00  1.2906291985E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.9139150050E-06  1.2906291985E-05
  3.9139150050E-06  0.0000000000E+00  0.0000000000E+00
  1.2906291985E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.9139150050E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.9139150050E-06  1.2906291985E-05
  0.0000000000E+00  1.2906291985E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.0584935003E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0584935003E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1351832911E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.9358249242E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9358249242E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3793744982E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  5.7599567237E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7719030241E-04  2.3483490030E-05
  0.0000000000E+00  2.3483490030E-05  6.3509610020E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.4940268498E-04  2.3483490030E-05
  1.4940268498E-04  0.0000000000E+00  0.0000000000E+00
  2.3483490030E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.3483490030E-05  7.7437751910E-05
  2.3483490030E-05  0.0000000000E+00  0.0000000000E+00
  7.7437751910E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.4940268498E-04  2.3483490030E-05
  1.4940268498E-04  0.0000000000E+00  0.0000000000E+00
  2.3483490030E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.7719030241E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7599567237E-04 -2.3483490030E-05
  0.0000000000E+00 -2.3483490030E-05  6.3509610020E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.3483490030E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3483490030E-05  7.7437751910E-05
  0.0000000000E+00  7.7437751910E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.3483490030E-05  7.7437751910E-05
  2.3483490030E-05  0.0000000000E+00  0.0000000000E+00
  7.7437751910E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.3483490030E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3483490030E-05  7.7437751910E-05
  0.0000000000E+00  7.7437751910E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  6.3509610020E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.3509610020E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2811099746E-03

 Convertion factor = 110.33107 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     0.500  5.95077E-02  5.95077E-02  5.94357E-02  3.67227E-02  1.38712E-02  3.67227E-02  4.42900E-02
   dip-dip  5.93582E-02  5.93582E-02  5.93582E-02  3.65760E-02  1.37937E-02  3.65760E-02  4.41701E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.49403E-04  1.49403E-04  7.74378E-05  1.46728E-04  7.74378E-05  1.46728E-04  1.19904E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.07230E-04  1.54403E-19 -8.77730E-03 -6.53980E-18
   dip-dip -2.83673E-16  0.00000E+00 -2.32751E-16  0.00000E+00
   dip-qua  2.07230E-04  1.54403E-19 -8.77730E-03 -6.53980E-18
   qua-qua  3.30135E-19  0.00000E+00  2.06697E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   1.00000 eV

 Vmoy = -16.56369 eV, Vmftabs = -19.90430 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.628E-06  4.763E-08    5.117E-03 -5.263E-05    9.586E-04 -9.873E-06
  1  0    1  1      9.977E-04  1.210E-06   -2.549E-02 -3.059E-05   -2.885E-03 -3.399E-06
  2  0    1  1      2.756E-04 -6.452E-07   -1.151E-02  2.707E-05   -2.202E-03  5.207E-06
  3  0    1  1      4.087E-06 -3.851E-08   -2.255E-04  2.127E-06   -5.547E-05  5.238E-07

 iapr =  1, Z = 27, lmax = 3

 iapr =  2, Z = 27, lmax = 3

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.0846504072E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0846504072E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0674402141E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.3027197720E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3027197720E-04  1.3831816208E-05
  0.0000000000E+00  1.3831816208E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.3027197720E-04 -1.3831816208E-05
 -3.3027197720E-04  0.0000000000E+00  0.0000000000E+00
 -1.3831816208E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.1038051589E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2631886645E-05  3.8095582452E-06
  0.0000000000E+00  3.8095582452E-06  1.2405494046E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.3874314622E-05  3.8095582452E-06
  2.3874314622E-05  0.0000000000E+00  0.0000000000E+00
  3.8095582452E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.8095582452E-06  1.0577615654E-05
  3.8095582452E-06  0.0000000000E+00  0.0000000000E+00
  1.0577615654E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.3874314622E-05  3.8095582452E-06
  2.3874314622E-05  0.0000000000E+00  0.0000000000E+00
  3.8095582452E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  6.2631886645E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1038051589E-04 -3.8095582452E-06
  0.0000000000E+00 -3.8095582452E-06  1.2405494046E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  3.8095582452E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8095582452E-06  1.0577615654E-05
  0.0000000000E+00  1.0577615654E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.8095582452E-06  1.0577615654E-05
  3.8095582452E-06  0.0000000000E+00  0.0000000000E+00
  1.0577615654E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.8095582452E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8095582452E-06  1.0577615654E-05
  0.0000000000E+00  1.0577615654E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.2405494046E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2405494046E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2160891001E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.5079024434E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.5079024434E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8404641285E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  6.6228309534E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7579131987E-04  2.2857349471E-05
  0.0000000000E+00  2.2857349471E-05  7.4432964277E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.4324588773E-04  2.2857349471E-05
  1.4324588773E-04  0.0000000000E+00  0.0000000000E+00
  2.2857349471E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.2857349471E-05  6.3465693922E-05
  2.2857349471E-05  0.0000000000E+00  0.0000000000E+00
  6.3465693922E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.4324588773E-04  2.2857349471E-05
  1.4324588773E-04  0.0000000000E+00  0.0000000000E+00
  2.2857349471E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  3.7579131987E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6228309534E-04 -2.2857349471E-05
  0.0000000000E+00 -2.2857349471E-05  7.4432964277E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.2857349471E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2857349471E-05  6.3465693922E-05
  0.0000000000E+00  6.3465693922E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.2857349471E-05  6.3465693922E-05
  2.2857349471E-05  0.0000000000E+00  0.0000000000E+00
  6.3465693922E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.2857349471E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2857349471E-05  6.3465693922E-05
  0.0000000000E+00  6.3465693922E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  7.4432964277E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.4432964277E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3296534601E-03

 Convertion factor = 110.33823 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     1.000  6.52223E-02  6.52223E-02  6.51425E-02  4.18677E-02  1.84681E-02  4.18677E-02  4.96276E-02
   dip-dip  6.50790E-02  6.50790E-02  6.50790E-02  4.17418E-02  1.84046E-02  4.17418E-02  4.95209E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.43246E-04  1.43246E-04  6.34657E-05  1.25819E-04  6.34657E-05  1.25819E-04  1.06687E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.07463E-03 -2.29085E-18 -6.19719E-03 -4.61741E-18
   dip-dip -2.90602E-16  0.00000E+00 -2.38436E-16  0.00000E+00
   dip-qua -3.07463E-03 -2.29085E-18 -6.19719E-03 -4.61741E-18
   qua-qua  2.84918E-19  0.00000E+00  1.91109E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   1.50000 eV

 Vmoy = -16.56334 eV, Vmftabs = -19.90001 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.396E-06  4.259E-08    4.860E-03 -4.707E-05    9.105E-04 -8.830E-06
  1  0    1  1      1.008E-03  1.608E-06   -2.574E-02 -4.075E-05   -2.914E-03 -4.549E-06
  2  0    1  1      2.723E-04 -5.434E-07   -1.138E-02  2.282E-05   -2.176E-03  4.393E-06
  3  0    1  1      3.906E-06 -3.504E-08   -2.155E-04  1.935E-06   -5.300E-05  4.765E-07

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1602104985E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1602104985E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0506527614E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.3463685859E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3463685859E-04  2.8057731971E-05
  0.0000000000E+00  2.8057731971E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.3463685859E-04 -2.8057731971E-05
 -3.3463685859E-04  0.0000000000E+00  0.0000000000E+00
 -2.8057731971E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2858147307E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3946841316E-05  2.6187297612E-06
  0.0000000000E+00  2.6187297612E-06  1.4595852094E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.2317315875E-05  2.6187297612E-06
  2.2317315875E-05  0.0000000000E+00  0.0000000000E+00
  2.6187297612E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.6187297612E-06  8.5432969687E-06
  2.6187297612E-06  0.0000000000E+00  0.0000000000E+00
  8.5432969687E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.2317315875E-05  2.6187297612E-06
  2.2317315875E-05  0.0000000000E+00  0.0000000000E+00
  2.6187297612E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  8.3946841316E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2858147307E-04 -2.6187297612E-06
  0.0000000000E+00 -2.6187297612E-06  1.4595852094E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  2.6187297612E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6187297612E-06  8.5432969687E-06
  0.0000000000E+00  8.5432969687E-06  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.6187297612E-06  8.5432969687E-06
  2.6187297612E-06  0.0000000000E+00  0.0000000000E+00
  8.5432969687E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.6187297612E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6187297612E-06  8.5432969687E-06
  0.0000000000E+00  8.5432969687E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.4595852094E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4595852094E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3508665583E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.9612629912E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.9612629912E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4303916568E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  7.7148883839E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0368104790E-04  1.5712378567E-05
  0.0000000000E+00  1.5712378567E-05  8.7575112567E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.3390389525E-04  1.5712378567E-05
  1.3390389525E-04  0.0000000000E+00  0.0000000000E+00
  1.5712378567E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.5712378567E-05  5.1259781812E-05
  1.5712378567E-05  0.0000000000E+00  0.0000000000E+00
  5.1259781812E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.3390389525E-04  1.5712378567E-05
  1.3390389525E-04  0.0000000000E+00  0.0000000000E+00
  1.5712378567E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  5.0368104790E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.7148883839E-04 -1.5712378567E-05
  0.0000000000E+00 -1.5712378567E-05  8.7575112567E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.5712378567E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5712378567E-05  5.1259781812E-05
  0.0000000000E+00  5.1259781812E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.5712378567E-05  5.1259781812E-05
  1.5712378567E-05  0.0000000000E+00  0.0000000000E+00
  5.1259781812E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.5712378567E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5712378567E-05  5.1259781812E-05
  0.0000000000E+00  5.1259781812E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  8.7575112567E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7575112567E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4105199350E-03

 Convertion factor = 110.34539 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     1.500  6.97465E-02  6.97465E-02  6.96639E-02  4.70659E-02  2.43552E-02  4.70659E-02  5.46036E-02
   dip-dip  6.96126E-02  6.96126E-02  6.96126E-02  4.69583E-02  2.43039E-02  4.69583E-02  5.45097E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.33904E-04  1.33904E-04  5.12598E-05  1.07627E-04  5.12598E-05  1.07627E-04  9.38390E-05

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -5.27462E-03 -3.93002E-18 -4.20485E-03 -3.13295E-18
   dip-dip -2.82117E-16  0.00000E+00 -2.31474E-16  0.00000E+00
   dip-qua -5.27462E-03 -3.93002E-18 -4.20485E-03 -3.13295E-18
   qua-qua  8.90701E-20  0.00000E+00  1.00325E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   2.00000 eV

 Vmoy = -16.56355 eV, Vmftabs = -19.89579 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.187E-06  3.828E-08    4.629E-03 -4.230E-05    8.672E-04 -7.936E-06
  1  0    1  1      1.020E-03  2.018E-06   -2.606E-02 -5.120E-05   -2.949E-03 -5.730E-06
  2  0    1  1      2.696E-04 -4.506E-07   -1.126E-02  1.894E-05   -2.154E-03  3.650E-06
  3  0    1  1      3.740E-06 -3.198E-08   -2.063E-04  1.766E-06   -5.075E-05  4.349E-07

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.2210167027E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2210167027E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.3662852722E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.3914040185E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3914040185E-04  2.2515601658E-05
  0.0000000000E+00  2.2515601658E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.3914040185E-04 -2.2515601658E-05
 -3.3914040185E-04  0.0000000000E+00  0.0000000000E+00
 -2.2515601658E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5212232816E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0982501103E-04  1.8093835824E-06
  0.0000000000E+00  1.8093835824E-06  1.7607909229E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.1148658564E-05  1.8093835824E-06
  2.1148658564E-05  0.0000000000E+00  0.0000000000E+00
  1.8093835824E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.8093835824E-06  7.3485213623E-06
  1.8093835824E-06  0.0000000000E+00  0.0000000000E+00
  7.3485213623E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.1148658564E-05  1.8093835824E-06
  2.1148658564E-05  0.0000000000E+00  0.0000000000E+00
  1.8093835824E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.0982501103E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5212232816E-04 -1.8093835824E-06
  0.0000000000E+00 -1.8093835824E-06  1.7607909229E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.8093835824E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8093835824E-06  7.3485213623E-06
  0.0000000000E+00  7.3485213623E-06  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.8093835824E-06  7.3485213623E-06
  1.8093835824E-06  0.0000000000E+00  0.0000000000E+00
  7.3485213623E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.8093835824E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8093835824E-06  7.3485213623E-06
  0.0000000000E+00  7.3485213623E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.7607909229E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7607909229E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6559988327E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  7.3261002159E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3261002159E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6197711633E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.1273396895E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.5895006618E-04  1.0856301495E-05
  0.0000000000E+00  1.0856301495E-05  1.0564745538E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2689195138E-04  1.0856301495E-05
  1.2689195138E-04  0.0000000000E+00  0.0000000000E+00
  1.0856301495E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.0856301495E-05  4.4091128174E-05
  1.0856301495E-05  0.0000000000E+00  0.0000000000E+00
  4.4091128174E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2689195138E-04  1.0856301495E-05
  1.2689195138E-04  0.0000000000E+00  0.0000000000E+00
  1.0856301495E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  6.5895006618E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1273396895E-04 -1.0856301495E-05
  0.0000000000E+00 -1.0856301495E-05  1.0564745538E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.0856301495E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0856301495E-05  4.4091128174E-05
  0.0000000000E+00  4.4091128174E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.0856301495E-05  4.4091128174E-05
  1.0856301495E-05  0.0000000000E+00  0.0000000000E+00
  4.4091128174E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.0856301495E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0856301495E-05  4.4091128174E-05
  0.0000000000E+00  4.4091128174E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.0564745538E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0564745538E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5935992996E-03

 Convertion factor = 110.35254 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     2.000  7.33879E-02  7.33879E-02  7.33051E-02  4.98277E-02  2.62418E-02  4.98277E-02  5.76594E-02
   dip-dip  7.32610E-02  7.32610E-02  7.32610E-02  4.97294E-02  2.61977E-02  4.97294E-02  5.75732E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.26892E-04  1.26892E-04  4.40911E-05  9.83460E-05  4.40911E-05  9.83460E-05  8.61594E-05

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.43573E-03 -3.30498E-18 -5.13632E-03 -3.82698E-18
   dip-dip -2.93061E-16  0.00000E+00 -2.40454E-16  0.00000E+00
   dip-qua -4.43573E-03 -3.30498E-18 -5.13632E-03 -3.82698E-18
   qua-qua -3.74520E-20  0.00000E+00  4.03911E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   2.50000 eV

 Vmoy = -16.56442 eV, Vmftabs = -19.89163 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.998E-06  3.456E-08    4.420E-03 -3.818E-05    8.282E-04 -7.165E-06
  1  0    1  1      1.035E-03  2.444E-06   -2.644E-02 -6.208E-05   -2.992E-03 -6.960E-06
  2  0    1  1      2.672E-04 -3.654E-07   -1.116E-02  1.538E-05   -2.135E-03  2.970E-06
  3  0    1  1      3.589E-06 -2.927E-08   -1.980E-04  1.616E-06   -4.869E-05  3.981E-07

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 3

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3714997527E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3714997527E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0652427146E-03

 Tensor_dq(1,ks,j2), prototypical atom
  3.7523112342E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7523112342E-04  8.4458236179E-06
  0.0000000000E+00  8.4458236179E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.7523112342E-04 -8.4458236179E-06
 -3.7523112342E-04  0.0000000000E+00  0.0000000000E+00
 -8.4458236179E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.9638384314E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5320868049E-04  1.5632368795E-06
  0.0000000000E+00  1.5632368795E-06  2.3186202342E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.1587581329E-05  1.5632368795E-06
  2.1587581329E-05  0.0000000000E+00  0.0000000000E+00
  1.5632368795E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.5632368795E-06  6.6754278694E-06
  1.5632368795E-06  0.0000000000E+00  0.0000000000E+00
  6.6754278694E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.1587581329E-05  1.5632368795E-06
  2.1587581329E-05  0.0000000000E+00  0.0000000000E+00
  1.5632368795E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.5320868049E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9638384314E-04 -1.5632368795E-06
  0.0000000000E+00 -1.5632368795E-06  2.3186202342E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.5632368795E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5632368795E-06  6.6754278694E-06
  0.0000000000E+00  6.6754278694E-06  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.5632368795E-06  6.6754278694E-06
  1.5632368795E-06  0.0000000000E+00  0.0000000000E+00
  6.6754278694E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.5632368795E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5632368795E-06  6.6754278694E-06
  0.0000000000E+00  6.6754278694E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.3186202342E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3186202342E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3299001668E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.2289985165E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.2289985165E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4391456287E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.1783030589E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1925208291E-04  9.3794212772E-06
  0.0000000000E+00  9.3794212772E-06  1.3911721405E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2952548798E-04  9.3794212772E-06
  1.2952548798E-04  0.0000000000E+00  0.0000000000E+00
  9.3794212772E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  9.3794212772E-06  4.0052567216E-05
  9.3794212772E-06  0.0000000000E+00  0.0000000000E+00
  4.0052567216E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2952548798E-04  9.3794212772E-06
  1.2952548798E-04  0.0000000000E+00  0.0000000000E+00
  9.3794212772E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  9.1925208291E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1783030589E-03 -9.3794212772E-06
  0.0000000000E+00 -9.3794212772E-06  1.3911721405E-03

 Crystal Tensor_qq(ke,je,3,2)
  9.3794212772E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.3794212772E-06  4.0052567216E-05
  0.0000000000E+00  4.0052567216E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  9.3794212772E-06  4.0052567216E-05
  9.3794212772E-06  0.0000000000E+00  0.0000000000E+00
  4.0052567216E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  9.3794212772E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.3794212772E-06  4.0052567216E-05
  0.0000000000E+00  4.0052567216E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.3911721405E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3911721405E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9979401001E-03

 Convertion factor = 110.35970 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     2.500  8.24195E-02  8.24195E-02  8.23300E-02  5.34392E-02  2.44315E-02  5.34392E-02  6.30759E-02
   dip-dip  8.22900E-02  8.22900E-02  8.22900E-02  5.33407E-02  2.43915E-02  5.33407E-02  6.29905E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.29525E-04  1.29525E-04  4.00526E-05  9.84747E-05  4.00526E-05  9.84747E-05  8.54561E-05

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.37611E-03 -1.77039E-18 -8.11617E-03 -6.04721E-18
   dip-dip -3.60555E-16  0.00000E+00 -2.95832E-16  0.00000E+00
   dip-qua -2.37611E-03 -1.77039E-18 -8.11617E-03 -6.04721E-18
   qua-qua -1.01542E-19  0.00000E+00  1.46359E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   3.00000 eV

 Vmoy = -16.56616 eV, Vmftabs = -19.88752 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.827E-06  3.132E-08    4.231E-03 -3.461E-05    7.926E-04 -6.494E-06
  1  0    1  1      1.053E-03  2.895E-06   -2.689E-02 -7.358E-05   -3.043E-03 -8.261E-06
  2  0    1  1      2.653E-04 -2.870E-07   -1.108E-02  1.210E-05   -2.119E-03  2.342E-06
  3  0    1  1      3.450E-06 -2.687E-08   -1.903E-04  1.484E-06   -4.681E-05  3.655E-07
  4  0    1  1      7.536E-07 -8.640E-09   -5.105E-05  5.857E-07   -1.508E-05  1.732E-07

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.6468630576E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6468630576E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9930729456E-03

 Tensor_dq(1,ks,j2), prototypical atom
  4.3225306137E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3225306137E-04 -5.3009055064E-06
  0.0000000000E+00 -5.3009055064E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -4.3225306137E-04  5.3009055064E-06
 -4.3225306137E-04  0.0000000000E+00  0.0000000000E+00
  5.3009055064E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.8489946335E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3875687420E-04  1.4839528978E-06
  0.0000000000E+00  1.4839528978E-06  3.4299962216E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.3071294576E-05  1.4839528978E-06
  2.3071294576E-05  0.0000000000E+00  0.0000000000E+00
  1.4839528978E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.4839528978E-06  6.3870679274E-06
  1.4839528978E-06  0.0000000000E+00  0.0000000000E+00
  6.3870679274E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.3071294576E-05  1.4839528978E-06
  2.3071294576E-05  0.0000000000E+00  0.0000000000E+00
  1.4839528978E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.3875687420E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8489946335E-04 -1.4839528978E-06
  0.0000000000E+00 -1.4839528978E-06  3.4299962216E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.4839528978E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4839528978E-06  6.3870679274E-06
  0.0000000000E+00  6.3870679274E-06  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.4839528978E-06  6.3870679274E-06
  1.4839528978E-06  0.0000000000E+00  0.0000000000E+00
  6.3870679274E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.4839528978E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4839528978E-06  6.3870679274E-06
  0.0000000000E+00  6.3870679274E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  3.4299962216E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4299962216E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.7295016779E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.8811783453E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.8811783453E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3958437674E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.7093967801E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4325412452E-03  8.9037173866E-06
  0.0000000000E+00  8.9037173866E-06  2.0579977329E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.3842776745E-04  8.9037173866E-06
  1.3842776745E-04  0.0000000000E+00  0.0000000000E+00
  8.9037173866E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  8.9037173866E-06  3.8322407565E-05
  8.9037173866E-06  0.0000000000E+00  0.0000000000E+00
  3.8322407565E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.3842776745E-04  8.9037173866E-06
  1.3842776745E-04  0.0000000000E+00  0.0000000000E+00
  8.9037173866E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.4325412452E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7093967801E-03 -8.9037173866E-06
  0.0000000000E+00 -8.9037173866E-06  2.0579977329E-03

 Crystal Tensor_qq(ke,je,3,2)
  8.9037173866E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.9037173866E-06  3.8322407565E-05
  0.0000000000E+00  3.8322407565E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  8.9037173866E-06  3.8322407565E-05
  8.9037173866E-06  0.0000000000E+00  0.0000000000E+00
  3.8322407565E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  8.9037173866E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.9037173866E-06  3.8322407565E-05
  0.0000000000E+00  3.8322407565E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  2.0579977329E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0579977329E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8377010068E-03

 Convertion factor = 110.36685 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     3.000  9.89502E-02  9.89502E-02  9.88501E-02  6.14929E-02  2.39968E-02  6.14929E-02  7.39509E-02
   dip-dip  9.88118E-02  9.88118E-02  9.88118E-02  6.13851E-02  2.39584E-02  6.13851E-02  7.38607E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.38428E-04  1.38428E-04  3.83224E-05  1.07776E-04  3.83224E-05  1.07776E-04  9.02117E-05

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.26003E-04 -3.17407E-19 -1.15711E-02 -8.62139E-18
   dip-dip -4.66169E-16  0.00000E+00 -3.82487E-16  0.00000E+00
   dip-qua -4.26003E-04 -3.17407E-19 -1.15711E-02 -8.62139E-18
   qua-qua -1.55328E-19  0.00000E+00 -3.58156E-21  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   3.50000 eV

 Vmoy = -16.56849 eV, Vmftabs = -19.88347 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.671E-06  2.849E-08    4.058E-03 -3.148E-05    7.603E-04 -5.908E-06
  1  0    1  1      1.073E-03  3.376E-06   -2.741E-02 -8.586E-05   -3.102E-03 -9.648E-06
  2  0    1  1      2.636E-04 -2.143E-07   -1.101E-02  9.064E-06   -2.106E-03  1.762E-06
  3  0    1  1      3.323E-06 -2.473E-08   -1.833E-04  1.366E-06   -4.509E-05  3.364E-07
  4  0    1  1      7.129E-07 -7.855E-09   -4.829E-05  5.325E-07   -1.427E-05  1.574E-07

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.0640264542E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0640264542E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.3438117837E-03

 Tensor_dq(1,ks,j2), prototypical atom
  5.1446742444E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1446742444E-04 -1.4977519456E-05
  0.0000000000E+00 -1.4977519456E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -5.1446742444E-04  1.4977519456E-05
 -5.1446742444E-04  0.0000000000E+00  0.0000000000E+00
  1.4977519456E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  4.1844564872E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6740221825E-04  1.6273466417E-06
  0.0000000000E+00  1.6273466417E-06  5.0588683422E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.5521715232E-05  1.6273466417E-06
  2.5521715232E-05  0.0000000000E+00  0.0000000000E+00
  1.6273466417E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.6273466417E-06  6.2998711042E-06
  1.6273466417E-06  0.0000000000E+00  0.0000000000E+00
  6.2998711042E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.5521715232E-05  1.6273466417E-06
  2.5521715232E-05  0.0000000000E+00  0.0000000000E+00
  1.6273466417E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.6740221825E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1844564872E-04 -1.6273466417E-06
  0.0000000000E+00 -1.6273466417E-06  5.0588683422E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.6273466417E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6273466417E-06  6.2998711042E-06
  0.0000000000E+00  6.2998711042E-06  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.6273466417E-06  6.2998711042E-06
  1.6273466417E-06  0.0000000000E+00  0.0000000000E+00
  6.2998711042E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.6273466417E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6273466417E-06  6.2998711042E-06
  0.0000000000E+00  6.2998711042E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  5.0588683422E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0588683422E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7434075323E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2384158725E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2384158725E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6062870702E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.5106738923E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2044133095E-03  9.7640798505E-06
  0.0000000000E+00  9.7640798505E-06  3.0353210053E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.5313029139E-04  9.7640798505E-06
  1.5313029139E-04  0.0000000000E+00  0.0000000000E+00
  9.7640798505E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  9.7640798505E-06  3.7799226625E-05
  9.7640798505E-06  0.0000000000E+00  0.0000000000E+00
  3.7799226625E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.5313029139E-04  9.7640798505E-06
  1.5313029139E-04  0.0000000000E+00  0.0000000000E+00
  9.7640798505E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.2044133095E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5106738923E-03 -9.7640798505E-06
  0.0000000000E+00 -9.7640798505E-06  3.0353210053E-03

 Crystal Tensor_qq(ke,je,3,2)
  9.7640798505E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.7640798505E-06  3.7799226625E-05
  0.0000000000E+00  3.7799226625E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  9.7640798505E-06  3.7799226625E-05
  9.7640798505E-06  0.0000000000E+00  0.0000000000E+00
  3.7799226625E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  9.7640798505E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.7640798505E-06  3.7799226625E-05
  0.0000000000E+00  3.7799226625E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.0353210053E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0353210053E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0460445194E-03

 Convertion factor = 110.37401 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     3.500  1.23995E-01  1.23995E-01  1.23879E-01  7.50737E-02  2.61007E-02  7.50737E-02  9.13472E-02
   dip-dip  1.23842E-01  1.23842E-01  1.23842E-01  7.49522E-02  2.60629E-02  7.49522E-02  9.12487E-02
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.53130E-04  1.53130E-04  3.77992E-05  1.21519E-04  3.77992E-05  1.21519E-04  9.85682E-05

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  8.26062E-04  6.15484E-19 -1.50537E-02 -1.12163E-17
   dip-dip -6.08982E-16  0.00000E+00 -4.99664E-16  0.00000E+00
   dip-qua  8.26062E-04  6.15484E-19 -1.50537E-02 -1.12163E-17
   qua-qua -1.92155E-19  0.00000E+00 -1.05188E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   4.00000 eV

 Vmoy = -16.57116 eV, Vmftabs = -19.87947 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.528E-06  2.602E-08    3.900E-03 -2.875E-05    7.308E-04 -5.395E-06
  1  0    1  1      1.096E-03  3.893E-06   -2.800E-02 -9.907E-05   -3.169E-03 -1.114E-05
  2  0    1  1      2.623E-04 -1.467E-07   -1.096E-02  6.240E-06   -2.096E-03  1.221E-06
  3  0    1  1      3.206E-06 -2.281E-08   -1.768E-04  1.260E-06   -4.350E-05  3.104E-07
  4  0    1  1      6.759E-07 -7.163E-09   -4.578E-05  4.856E-07   -1.352E-05  1.436E-07

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.7326528171E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7326528171E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.0538089718E-03

 Tensor_dq(1,ks,j2), prototypical atom
  6.5695763919E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.5695763919E-04 -1.6325251108E-05
  0.0000000000E+00 -1.6325251108E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -6.5695763919E-04  1.6325251108E-05
 -6.5695763919E-04  0.0000000000E+00  0.0000000000E+00
  1.6325251108E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  4.4559293680E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8524063176E-04  2.1566224253E-06
  0.0000000000E+00  2.1566224253E-06  5.1852794410E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.0176152521E-05  2.1566224253E-06
  3.0176152521E-05  0.0000000000E+00  0.0000000000E+00
  2.1566224253E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  2.1566224253E-06  6.3389236850E-06
  2.1566224253E-06  0.0000000000E+00  0.0000000000E+00
  6.3389236850E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.0176152521E-05  2.1566224253E-06
  3.0176152521E-05  0.0000000000E+00  0.0000000000E+00
  2.1566224253E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.8524063176E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4559293680E-04 -2.1566224253E-06
  0.0000000000E+00 -2.1566224253E-06  5.1852794410E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  2.1566224253E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1566224253E-06  6.3389236850E-06
  0.0000000000E+00  6.3389236850E-06  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  2.1566224253E-06  6.3389236850E-06
  2.1566224253E-06  0.0000000000E+00  0.0000000000E+00
  6.3389236850E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.1566224253E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1566224253E-06  6.3389236850E-06
  0.0000000000E+00  6.3389236850E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  5.1852794410E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1852794410E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7072688013E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.6395916902E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6395916902E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0322853831E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  2.6735576208E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3114437905E-03  1.2939734552E-05
  0.0000000000E+00  1.2939734552E-05  3.1111676646E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.8105691512E-04  1.2939734552E-05
  1.8105691512E-04  0.0000000000E+00  0.0000000000E+00
  1.2939734552E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.2939734552E-05  3.8033542110E-05
  1.2939734552E-05  0.0000000000E+00  0.0000000000E+00
  3.8033542110E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.8105691512E-04  1.2939734552E-05
  1.8105691512E-04  0.0000000000E+00  0.0000000000E+00
  1.2939734552E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.3114437905E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6735576208E-03 -1.2939734552E-05
  0.0000000000E+00 -1.2939734552E-05  3.1111676646E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.2939734552E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2939734552E-05  3.8033542110E-05
  0.0000000000E+00  3.8033542110E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.2939734552E-05  3.8033542110E-05
  1.2939734552E-05  0.0000000000E+00  0.0000000000E+00
  3.8033542110E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.2939734552E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2939734552E-05  3.8033542110E-05
  0.0000000000E+00  3.8033542110E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.1111676646E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1111676646E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0243612808E-03

 Convertion factor = 110.38116 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     4.000  1.64140E-01  1.64140E-01  1.63997E-01  9.72599E-02  3.03609E-02  9.72599E-02  1.19521E-01
   dip-dip  1.63959E-01  1.63959E-01  1.63959E-01  9.71410E-02  3.03229E-02  9.71410E-02  1.19414E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  1.81057E-04  1.81057E-04  3.80335E-05  1.18896E-04  3.80335E-05  1.18896E-04  1.07271E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  6.24195E-04  4.65077E-19 -1.88105E-02 -1.40153E-17
   dip-dip -8.32363E-16  0.00000E+00 -6.82946E-16  0.00000E+00
   dip-qua  6.24195E-04  4.65077E-19 -1.88105E-02 -1.40153E-17
   qua-qua -2.14482E-19  0.00000E+00 -9.52830E-22  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   4.50000 eV

 Vmoy = -16.57441 eV, Vmftabs = -19.87552 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.397E-06  2.383E-08    3.756E-03 -2.633E-05    7.037E-04 -4.942E-06
  1  0    1  1      1.123E-03  4.458E-06   -2.868E-02 -1.135E-04   -3.246E-03 -1.277E-05
  2  0    1  1      2.614E-04 -8.353E-08   -1.091E-02  3.599E-06   -2.088E-03  7.158E-07
  3  0    1  1      3.098E-06 -2.109E-08   -1.709E-04  1.165E-06   -4.203E-05  2.870E-07
  4  0    1  1      6.421E-07 -6.551E-09   -4.349E-05  4.441E-07   -1.285E-05  1.313E-07

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.8264403114E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8264403114E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.1265163294E-03

 Tensor_dq(1,ks,j2), prototypical atom
  9.0433976139E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.0433976139E-04 -3.6265263735E-06
  0.0000000000E+00 -3.6265263735E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -9.0433976139E-04  3.6265263735E-06
 -9.0433976139E-04  0.0000000000E+00  0.0000000000E+00
  3.6265263735E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  3.2374966258E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4690477538E-04  3.2826340143E-06
  0.0000000000E+00  3.2826340143E-06  3.3746416920E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.8422443599E-05  3.2826340143E-06
  3.8422443599E-05  0.0000000000E+00  0.0000000000E+00
  3.2826340143E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.2826340143E-06  6.5090316923E-06
  3.2826340143E-06  0.0000000000E+00  0.0000000000E+00
  6.5090316923E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.8422443599E-05  3.2826340143E-06
  3.8422443599E-05  0.0000000000E+00  0.0000000000E+00
  3.2826340143E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.4690477538E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2374966258E-04 -3.2826340143E-06
  0.0000000000E+00 -3.2826340143E-06  3.3746416920E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  3.2826340143E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2826340143E-06  6.5090316923E-06
  0.0000000000E+00  6.5090316923E-06  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.2826340143E-06  6.5090316923E-06
  3.2826340143E-06  0.0000000000E+00  0.0000000000E+00
  6.5090316923E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.2826340143E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2826340143E-06  6.5090316923E-06
  0.0000000000E+00  6.5090316923E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  3.3746416920E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3746416920E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2428598359E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.2958641868E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2958641868E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6759097976E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.9424979755E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4814286523E-03  1.9695804086E-05
  0.0000000000E+00  1.9695804086E-05  2.0247850152E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.3053466159E-04  1.9695804086E-05
  2.3053466159E-04  0.0000000000E+00  0.0000000000E+00
  1.9695804086E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.9695804086E-05  3.9054190154E-05
  1.9695804086E-05  0.0000000000E+00  0.0000000000E+00
  3.9054190154E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.3053466159E-04  1.9695804086E-05
  2.3053466159E-04  0.0000000000E+00  0.0000000000E+00
  1.9695804086E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.4814286523E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9424979755E-03 -1.9695804086E-05
  0.0000000000E+00 -1.9695804086E-05  2.0247850152E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.9695804086E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9695804086E-05  3.9054190154E-05
  0.0000000000E+00  3.9054190154E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.9695804086E-05  3.9054190154E-05
  1.9695804086E-05  0.0000000000E+00  0.0000000000E+00
  3.9054190154E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.9695804086E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9695804086E-05  3.9054190154E-05
  0.0000000000E+00  3.9054190154E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  2.0247850152E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0247850152E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5457159015E-03

 Convertion factor = 110.38832 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     4.500  2.29817E-01  2.29817E-01  2.29625E-01  1.33282E-01  3.67982E-02  1.33282E-01  1.65432E-01
   dip-dip  2.29586E-01  2.29586E-01  2.29586E-01  1.33173E-01  3.67591E-02  1.33173E-01  1.65311E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.30535E-04  2.30535E-04  3.90542E-05  1.09661E-04  3.90542E-05  1.09661E-04  1.21709E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.03945E-03 -1.51956E-18 -2.31101E-02 -1.72189E-17
   dip-dip -1.20112E-15  0.00000E+00 -9.85505E-16  0.00000E+00
   dip-qua -2.03945E-03 -1.51956E-18 -2.31101E-02 -1.72189E-17
   qua-qua -2.21875E-19  0.00000E+00  3.10138E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   5.00000 eV

 Vmoy = -16.57813 eV, Vmftabs = -19.87161 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.277E-06  2.190E-08    3.623E-03 -2.419E-05    6.788E-04 -4.541E-06
  1  0    1  1      1.153E-03  5.080E-06   -2.945E-02 -1.293E-04   -3.333E-03 -1.456E-05
  2  0    1  1      2.607E-04 -2.418E-08   -1.089E-02  1.120E-06   -2.082E-03  2.415E-07
  3  0    1  1      2.998E-06 -1.955E-08   -1.653E-04  1.080E-06   -4.068E-05  2.660E-07
  4  0    1  1      6.112E-07 -6.007E-09   -4.140E-05  4.072E-07   -1.223E-05  1.204E-07

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.3893815460E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3893815460E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.6863811289E-03

 Tensor_dq(1,ks,j2), prototypical atom
  1.2462230496E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2462230496E-03  2.6386955971E-05
  0.0000000000E+00  2.6386955971E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.2462230496E-03 -2.6386955971E-05
 -1.2462230496E-03  0.0000000000E+00  0.0000000000E+00
 -2.6386955971E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  2.3265409668E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3319813526E-04  5.1236130709E-06
  0.0000000000E+00  5.1236130709E-06  1.9794653867E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.9727980712E-05  5.1236130709E-06
  4.9727980712E-05  0.0000000000E+00  0.0000000000E+00
  5.1236130709E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  5.1236130709E-06  6.8535574690E-06
  5.1236130709E-06  0.0000000000E+00  0.0000000000E+00
  6.8535574690E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.9727980712E-05  5.1236130709E-06
  4.9727980712E-05  0.0000000000E+00  0.0000000000E+00
  5.1236130709E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.3319813526E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3265409668E-04 -5.1236130709E-06
  0.0000000000E+00 -5.1236130709E-06  1.9794653867E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  5.1236130709E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1236130709E-06  6.8535574690E-06
  0.0000000000E+00  6.8535574690E-06  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  5.1236130709E-06  6.8535574690E-06
  5.1236130709E-06  0.0000000000E+00  0.0000000000E+00
  6.8535574690E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  5.1236130709E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1236130709E-06  6.8535574690E-06
  0.0000000000E+00  6.8535574690E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.9794653867E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9794653867E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4229144987E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.2336289276E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2336289276E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6118286773E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.3959245801E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9918881153E-04  3.0741678426E-05
  0.0000000000E+00  3.0741678426E-05  1.1876792320E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.9836788427E-04  3.0741678426E-05
  2.9836788427E-04  0.0000000000E+00  0.0000000000E+00
  3.0741678426E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.0741678426E-05  4.1121344814E-05
  3.0741678426E-05  0.0000000000E+00  0.0000000000E+00
  4.1121344814E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.9836788427E-04  3.0741678426E-05
  2.9836788427E-04  0.0000000000E+00  0.0000000000E+00
  3.0741678426E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  7.9918881153E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3959245801E-03 -3.0741678426E-05
  0.0000000000E+00 -3.0741678426E-05  1.1876792320E-03

 Crystal Tensor_qq(ke,je,3,2)
  3.0741678426E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0741678426E-05  4.1121344814E-05
  0.0000000000E+00  4.1121344814E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.0741678426E-05  4.1121344814E-05
  3.0741678426E-05  0.0000000000E+00  0.0000000000E+00
  4.1121344814E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.0741678426E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0741678426E-05  4.1121344814E-05
  0.0000000000E+00  4.1121344814E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.1876792320E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1876792320E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4537486992E-03

 Convertion factor = 110.39547 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     5.000  3.23661E-01  3.23661E-01  3.23404E-01  1.84859E-01  4.61594E-02  1.84859E-01  2.31096E-01
   dip-dip  3.23363E-01  3.23363E-01  3.23363E-01  1.84741E-01  4.61183E-02  1.84741E-01  2.30948E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.98368E-04  2.98368E-04  4.11213E-05  1.18579E-04  4.11213E-05  1.18579E-04  1.47525E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.63825E-03 -5.69112E-18 -2.72101E-02 -2.02738E-17
   dip-dip -1.72706E-15  0.00000E+00 -1.41704E-15  0.00000E+00
   dip-qua -7.63825E-03 -5.69112E-18 -2.72101E-02 -2.02738E-17
   qua-qua -1.85162E-19  0.00000E+00  9.59191E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   5.50000 eV

 Vmoy = -16.58238 eV, Vmftabs = -19.86776 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.166E-06  2.017E-08    3.501E-03 -2.229E-05    6.558E-04 -4.184E-06
  1  0    1  1      1.188E-03  5.773E-06   -3.032E-02 -1.470E-04   -3.431E-03 -1.656E-05
  2  0    1  1      2.602E-04  3.178E-08   -1.087E-02 -1.216E-06   -2.079E-03 -2.056E-07
  3  0    1  1      2.906E-06 -1.815E-08   -1.602E-04  1.002E-06   -3.942E-05  2.470E-07
  4  0    1  1      5.829E-07 -5.523E-09   -3.948E-05  3.744E-07   -1.166E-05  1.107E-07

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.6353252895E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6353252895E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0010326222E-02

 Tensor_dq(1,ks,j2), prototypical atom
  1.4223373928E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4223373928E-03  5.2376135549E-05
  0.0000000000E+00  5.2376135549E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.4223373928E-03 -5.2376135549E-05
 -1.4223373928E-03  0.0000000000E+00  0.0000000000E+00
 -5.2376135549E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.8788008324E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5508787410E-05  7.0020989586E-06
  0.0000000000E+00  7.0020989586E-06  1.2380039322E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.6185647916E-05  7.0020989586E-06
  5.6185647916E-05  0.0000000000E+00  0.0000000000E+00
  7.0020989586E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  7.0020989586E-06  7.3419653947E-06
  7.0020989586E-06  0.0000000000E+00  0.0000000000E+00
  7.3419653947E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.6185647916E-05  7.0020989586E-06
  5.6185647916E-05  0.0000000000E+00  0.0000000000E+00
  7.0020989586E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  7.5508787410E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8788008324E-04 -7.0020989586E-06
  0.0000000000E+00 -7.0020989586E-06  1.2380039322E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  7.0020989586E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.0020989586E-06  7.3419653947E-06
  0.0000000000E+00  7.3419653947E-06  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  7.0020989586E-06  7.3419653947E-06
  7.0020989586E-06  0.0000000000E+00  0.0000000000E+00
  7.3419653947E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.0020989586E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.0020989586E-06  7.3419653947E-06
  0.0000000000E+00  7.3419653947E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.2380039322E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2380039322E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4867290220E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.9811951737E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9811951737E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0061957330E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.1272804995E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5305272446E-04  4.2012593752E-05
  0.0000000000E+00  4.2012593752E-05  7.4280235935E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.3711388750E-04  4.2012593752E-05
  3.3711388750E-04  0.0000000000E+00  0.0000000000E+00
  4.2012593752E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.2012593752E-05  4.4051792368E-05
  4.2012593752E-05  0.0000000000E+00  0.0000000000E+00
  4.4051792368E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.3711388750E-04  4.2012593752E-05
  3.3711388750E-04  0.0000000000E+00  0.0000000000E+00
  4.2012593752E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  4.5305272446E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1272804995E-03 -4.2012593752E-05
  0.0000000000E+00 -4.2012593752E-05  7.4280235935E-04

 Crystal Tensor_qq(ke,je,3,2)
  4.2012593752E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2012593752E-05  4.4051792368E-05
  0.0000000000E+00  4.4051792368E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.2012593752E-05  4.4051792368E-05
  4.2012593752E-05  0.0000000000E+00  0.0000000000E+00
  4.4051792368E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.2012593752E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2012593752E-05  4.4051792368E-05
  0.0000000000E+00  4.4051792368E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  7.4280235935E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.4280235935E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.9203741323E-04

 Convertion factor = 110.40263 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     5.500  3.98457E-01  3.98457E-01  3.98164E-01  2.29224E-01  6.01060E-02  2.29224E-01  2.85599E-01
   dip-dip  3.98120E-01  3.98120E-01  3.98120E-01  2.29091E-01  6.00620E-02  2.29091E-01  2.85434E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.37114E-04  3.37114E-04  4.40518E-05  1.33428E-04  4.40518E-05  1.33428E-04  1.65573E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.21426E-02 -9.04720E-18 -2.77671E-02 -2.06888E-17
   dip-dip -2.10602E-15  0.00000E+00 -1.72797E-15  0.00000E+00
   dip-qua -1.21426E-02 -9.04720E-18 -2.77671E-02 -2.06888E-17
   qua-qua -2.93931E-20  0.00000E+00  1.95519E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   6.00000 eV

 Vmoy = -16.58709 eV, Vmftabs = -19.86394 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.064E-06  1.863E-08    3.387E-03 -2.058E-05    6.346E-04 -3.865E-06
  1  0    1  1      1.226E-03  6.551E-06   -3.131E-02 -1.669E-04   -3.543E-03 -1.880E-05
  2  0    1  1      2.600E-04  8.474E-08   -1.086E-02 -3.428E-06   -2.077E-03 -6.287E-07
  3  0    1  1      2.820E-06 -1.689E-08   -1.555E-04  9.326E-07   -3.826E-05  2.298E-07
  4  0    1  1      5.569E-07 -5.090E-09   -3.772E-05  3.450E-07   -1.114E-05  1.020E-07

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.5043275087E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.5043275087E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3680674504E-02

 Tensor_dq(1,ks,j2), prototypical atom
  1.1460810706E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1460810706E-03  3.5165230721E-05
  0.0000000000E+00  3.5165230721E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -1.1460810706E-03 -3.5165230721E-05
 -1.1460810706E-03  0.0000000000E+00  0.0000000000E+00
 -3.5165230721E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5968483437E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8855647327E-05  7.7250946054E-06
  0.0000000000E+00  7.7250946054E-06  8.2776479540E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.0414593521E-05  7.7250946054E-06
  5.0414593521E-05  0.0000000000E+00  0.0000000000E+00
  7.7250946054E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  7.7250946054E-06  7.8206166579E-06
  7.7250946054E-06  0.0000000000E+00  0.0000000000E+00
  7.8206166579E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.0414593521E-05  7.7250946054E-06
  5.0414593521E-05  0.0000000000E+00  0.0000000000E+00
  7.7250946054E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  5.8855647327E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5968483437E-04 -7.7250946054E-06
  0.0000000000E+00 -7.7250946054E-06  8.2776479540E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  7.7250946054E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.7250946054E-06  7.8206166579E-06
  0.0000000000E+00  7.8206166579E-06  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  7.7250946054E-06  7.8206166579E-06
  7.7250946054E-06  0.0000000000E+00  0.0000000000E+00
  7.8206166579E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.7250946054E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.7250946054E-06  7.8206166579E-06
  0.0000000000E+00  7.8206166579E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  8.2776479540E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.2776479540E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0036883095E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.9025965052E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9025965052E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.2084047024E-02

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.5810900621E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5313388396E-04  4.6350567632E-05
  0.0000000000E+00  4.6350567632E-05  4.9665887724E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.0248756112E-04  4.6350567632E-05
  3.0248756112E-04  0.0000000000E+00  0.0000000000E+00
  4.6350567632E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.6350567632E-05  4.6923699947E-05
  4.6350567632E-05  0.0000000000E+00  0.0000000000E+00
  4.6923699947E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.0248756112E-04  4.6350567632E-05
  3.0248756112E-04  0.0000000000E+00  0.0000000000E+00
  4.6350567632E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  3.5313388396E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.5810900621E-04 -4.6350567632E-05
  0.0000000000E+00 -4.6350567632E-05  4.9665887724E-04

 Crystal Tensor_qq(ke,je,3,2)
  4.6350567632E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6350567632E-05  4.6923699947E-05
  0.0000000000E+00  4.6923699947E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.6350567632E-05  4.6923699947E-05
  4.6350567632E-05  0.0000000000E+00  0.0000000000E+00
  4.6923699947E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.6350567632E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6350567632E-05  4.6923699947E-05
  0.0000000000E+00  4.6923699947E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.9665887724E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9665887724E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0221298568E-04

 Convertion factor = 110.40979 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     6.000  3.90562E-01  3.90562E-01  3.90307E-01  2.36314E-01  8.21310E-02  2.36314E-01  2.87692E-01
   dip-dip  3.90260E-01  3.90260E-01  3.90260E-01  2.36172E-01  8.20840E-02  2.36172E-01  2.87534E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.02488E-04  3.02488E-04  4.69237E-05  1.41751E-04  4.69237E-05  1.41751E-04  1.57399E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -8.70204E-03 -6.48373E-18 -2.34158E-02 -1.74467E-17
   dip-dip -1.91999E-15  0.00000E+00 -1.57533E-15  0.00000E+00
   dip-qua -8.70204E-03 -6.48373E-18 -2.34158E-02 -1.74467E-17
   qua-qua  2.25171E-19  0.00000E+00  2.89125E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   6.50000 eV

 Vmoy = -16.59232 eV, Vmftabs = -19.86017 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.969E-06  1.725E-08    3.282E-03 -1.906E-05    6.150E-04 -3.579E-06
  1  0    1  1      1.270E-03  7.436E-06   -3.243E-02 -1.894E-04   -3.669E-03 -2.135E-05
  2  0    1  1      2.601E-04  1.351E-07   -1.086E-02 -5.529E-06   -2.077E-03 -1.031E-06
  3  0    1  1      2.740E-06 -1.574E-08   -1.511E-04  8.692E-07   -3.717E-05  2.142E-07
  4  0    1  1      5.329E-07 -4.701E-09   -3.609E-05  3.187E-07   -1.066E-05  9.426E-08

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.6984713749E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.6984713749E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0011789983E-02

 Tensor_dq(1,ks,j2), prototypical atom
  6.8670279988E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.8670279988E-04 -7.4051567168E-06
  0.0000000000E+00 -7.4051567168E-06  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -6.8670279988E-04  7.4051567168E-06
 -6.8670279988E-04  0.0000000000E+00  0.0000000000E+00
  7.4051567168E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4409035168E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1487106108E-05  7.7131468708E-06
  0.0000000000E+00  7.7131468708E-06  5.6014882579E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.1301622786E-05  7.7131468708E-06
  4.1301622786E-05  0.0000000000E+00  0.0000000000E+00
  7.7131468708E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  7.7131468708E-06  8.2699005747E-06
  7.7131468708E-06  0.0000000000E+00  0.0000000000E+00
  8.2699005747E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.1301622786E-05  7.7131468708E-06
  4.1301622786E-05  0.0000000000E+00  0.0000000000E+00
  7.7131468708E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  6.1487106108E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4409035168E-04 -7.7131468708E-06
  0.0000000000E+00 -7.7131468708E-06  5.6014882579E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  7.7131468708E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.7131468708E-06  8.2699005747E-06
  0.0000000000E+00  8.2699005747E-06  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  7.7131468708E-06  8.2699005747E-06
  7.7131468708E-06  0.0000000000E+00  0.0000000000E+00
  8.2699005747E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.7131468708E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.7131468708E-06  8.2699005747E-06
  0.0000000000E+00  8.2699005747E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  5.6014882579E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.6014882579E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.4660336627E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.4190828249E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4190828249E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2007073990E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.6454211009E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6892263665E-04  4.6278881225E-05
  0.0000000000E+00  4.6278881225E-05  3.3608929547E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.4780973672E-04  4.6278881225E-05
  2.4780973672E-04  0.0000000000E+00  0.0000000000E+00
  4.6278881225E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.6278881225E-05  4.9619403448E-05
  4.6278881225E-05  0.0000000000E+00  0.0000000000E+00
  4.9619403448E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.4780973672E-04  4.6278881225E-05
  2.4780973672E-04  0.0000000000E+00  0.0000000000E+00
  4.6278881225E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  3.6892263665E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.6454211009E-04 -4.6278881225E-05
  0.0000000000E+00 -4.6278881225E-05  3.3608929547E-04

 Crystal Tensor_qq(ke,je,3,2)
  4.6278881225E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6278881225E-05  4.9619403448E-05
  0.0000000000E+00  4.9619403448E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.6278881225E-05  4.9619403448E-05
  4.6278881225E-05  0.0000000000E+00  0.0000000000E+00
  4.9619403448E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.6278881225E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6278881225E-05  4.9619403448E-05
  0.0000000000E+00  4.9619403448E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.3608929547E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3608929547E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.4796201976E-04

 Convertion factor = 110.41694 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     6.500  3.42156E-01  3.42156E-01  3.41958E-01  2.31150E-01  1.20120E-01  2.31150E-01  2.68108E-01
   dip-dip  3.41908E-01  3.41908E-01  3.41908E-01  2.30990E-01  1.20071E-01  2.30990E-01  2.67962E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.47810E-04  2.47810E-04  4.96194E-05  1.60081E-04  4.96194E-05  1.60081E-04  1.45139E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -8.33421E-04 -6.20967E-19 -1.82406E-02 -1.35907E-17
   dip-dip -1.38218E-15  0.00000E+00 -1.13406E-15  0.00000E+00
   dip-qua -8.33421E-04 -6.20967E-19 -1.82406E-02 -1.35907E-17
   qua-qua  4.39627E-19  0.00000E+00  3.48915E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   7.00000 eV

 Vmoy = -16.59791 eV, Vmftabs = -19.85644 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.881E-06  1.601E-08    3.185E-03 -1.769E-05    5.967E-04 -3.321E-06
  1  0    1  1      1.320E-03  8.450E-06   -3.369E-02 -2.153E-04   -3.812E-03 -2.427E-05
  2  0    1  1      2.603E-04  1.831E-07   -1.087E-02 -7.532E-06   -2.079E-03 -1.414E-06
  3  0    1  1      2.666E-06 -1.469E-08   -1.470E-04  8.114E-07   -3.617E-05  2.000E-07
  4  0    1  1      5.108E-07 -4.352E-09   -3.459E-05  2.950E-07   -1.022E-05  8.727E-08

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.0230842805E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0230842805E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2166797599E-02

 Tensor_dq(1,ks,j2), prototypical atom
  3.1692284565E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1692284565E-04 -4.1153483454E-05
  0.0000000000E+00 -4.1153483454E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -3.1692284565E-04  4.1153483454E-05
 -3.1692284565E-04  0.0000000000E+00  0.0000000000E+00
  4.1153483454E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4256374153E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.0769542738E-05  7.7070145088E-06
  0.0000000000E+00  7.7070145088E-06  3.3816870072E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.5897099397E-05  7.7070145088E-06
  3.5897099397E-05  0.0000000000E+00  0.0000000000E+00
  7.7070145088E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  7.7070145088E-06  8.7873718567E-06
  7.7070145088E-06  0.0000000000E+00  0.0000000000E+00
  8.7873718567E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.5897099397E-05  7.7070145088E-06
  3.5897099397E-05  0.0000000000E+00  0.0000000000E+00
  7.7070145088E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  7.0769542738E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4256374153E-04 -7.7070145088E-06
  0.0000000000E+00 -7.7070145088E-06  3.3816870072E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  7.7070145088E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.7070145088E-06  8.7873718567E-06
  0.0000000000E+00  8.7873718567E-06  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  7.7070145088E-06  8.7873718567E-06
  7.7070145088E-06  0.0000000000E+00  0.0000000000E+00
  8.7873718567E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.7070145088E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.7070145088E-06  8.7873718567E-06
  0.0000000000E+00  8.7873718567E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  3.3816870072E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3816870072E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.2643338923E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.0138505683E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0138505683E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9300078560E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.5538244919E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2461725643E-04  4.6242087053E-05
  0.0000000000E+00  4.6242087053E-05  2.0290122043E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.1538259638E-04  4.6242087053E-05
  2.1538259638E-04  0.0000000000E+00  0.0000000000E+00
  4.6242087053E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.6242087053E-05  5.2724231140E-05
  4.6242087053E-05  0.0000000000E+00  0.0000000000E+00
  5.2724231140E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.1538259638E-04  4.6242087053E-05
  2.1538259638E-04  0.0000000000E+00  0.0000000000E+00
  4.6242087053E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  4.2461725643E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5538244919E-04 -4.6242087053E-05
  0.0000000000E+00 -4.6242087053E-05  2.0290122043E-04

 Crystal Tensor_qq(ke,je,3,2)
  4.6242087053E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6242087053E-05  5.2724231140E-05
  0.0000000000E+00  5.2724231140E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.6242087053E-05  5.2724231140E-05
  4.6242087053E-05  0.0000000000E+00  0.0000000000E+00
  5.2724231140E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.6242087053E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6242087053E-05  5.2724231140E-05
  0.0000000000E+00  5.2724231140E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  2.0290122043E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0290122043E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7586003354E-04

 Convertion factor = 110.42410 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     7.000  3.01600E-01  3.01600E-01  3.01438E-01  2.47399E-01  1.93054E-01  2.47399E-01  2.65405E-01
   dip-dip  3.01385E-01  3.01385E-01  3.01385E-01  2.47193E-01  1.93001E-01  2.47193E-01  2.65257E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.15383E-04  2.15383E-04  5.27242E-05  2.06360E-04  5.27242E-05  2.06360E-04  1.47913E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  5.42144E-03  4.03941E-18 -1.39977E-02 -1.04294E-17
   dip-dip -6.75342E-16  0.00000E+00 -5.54111E-16  0.00000E+00
   dip-qua  5.42144E-03  4.03941E-18 -1.39977E-02 -1.04294E-17
   qua-qua  5.69412E-19  0.00000E+00  3.83379E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   7.50000 eV

 Vmoy = -16.60396 eV, Vmftabs = -19.85276 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.799E-06  1.489E-08    3.094E-03 -1.645E-05    5.797E-04 -3.089E-06
  1  0    1  1      1.376E-03  9.624E-06   -3.512E-02 -2.452E-04   -3.973E-03 -2.765E-05
  2  0    1  1      2.608E-04  2.291E-07   -1.089E-02 -9.453E-06   -2.083E-03 -1.781E-06
  3  0    1  1      2.597E-06 -1.374E-08   -1.432E-04  7.586E-07   -3.523E-05  1.870E-07
  4  0    1  1      4.903E-07 -4.037E-09   -3.320E-05  2.737E-07   -9.809E-06  8.095E-08

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.5473165398E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5473165398E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.7525126338E-02

 Tensor_dq(1,ks,j2), prototypical atom
  7.1248159491E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.1248159491E-05 -5.9651526792E-05
  0.0000000000E+00 -5.9651526792E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -7.1248159491E-05  5.9651526792E-05
 -7.1248159491E-05  0.0000000000E+00  0.0000000000E+00
  5.9651526792E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5271402718E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4824219500E-05  7.8207084283E-06
  0.0000000000E+00  7.8207084283E-06  1.0178117571E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.3944903842E-05  7.8207084283E-06
  3.3944903842E-05  0.0000000000E+00  0.0000000000E+00
  7.8207084283E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  7.8207084283E-06  9.4806391838E-06
  7.8207084283E-06  0.0000000000E+00  0.0000000000E+00
  9.4806391838E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.3944903842E-05  7.8207084283E-06
  3.3944903842E-05  0.0000000000E+00  0.0000000000E+00
  7.8207084283E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  8.4824219500E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5271402718E-04 -7.8207084283E-06
  0.0000000000E+00 -7.8207084283E-06  1.0178117571E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  7.8207084283E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.8207084283E-06  9.4806391838E-06
  0.0000000000E+00  9.4806391838E-06  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  7.8207084283E-06  9.4806391838E-06
  7.8207084283E-06  0.0000000000E+00  0.0000000000E+00
  9.4806391838E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.8207084283E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.8207084283E-06  9.4806391838E-06
  0.0000000000E+00  9.4806391838E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.0178117571E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0178117571E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.2367661212E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.7283899239E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7283899239E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4515075803E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.1628416310E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0894531700E-04  4.6924250570E-05
  0.0000000000E+00  4.6924250570E-05  6.1068705426E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.0366942305E-04  4.6924250570E-05
  2.0366942305E-04  0.0000000000E+00  0.0000000000E+00
  4.6924250570E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.6924250570E-05  5.6883835103E-05
  4.6924250570E-05  0.0000000000E+00  0.0000000000E+00
  5.6883835103E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.0366942305E-04  4.6924250570E-05
  2.0366942305E-04  0.0000000000E+00  0.0000000000E+00
  4.6924250570E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  5.0894531700E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1628416310E-04 -4.6924250570E-05
  0.0000000000E+00 -4.6924250570E-05  6.1068705426E-05

 Crystal Tensor_qq(ke,je,3,2)
  4.6924250570E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6924250570E-05  5.6883835103E-05
  0.0000000000E+00  5.6883835103E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.6924250570E-05  5.6883835103E-05
  4.6924250570E-05  0.0000000000E+00  0.0000000000E+00
  5.6883835103E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.6924250570E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6924250570E-05  5.6883835103E-05
  0.0000000000E+00  5.6883835103E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  6.1068705426E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1068705426E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7420596727E-04

 Convertion factor = 110.43125 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     7.500  2.73043E-01  2.73043E-01  2.72896E-01  3.09287E-01  3.45208E-01  3.09287E-01  2.97111E-01
   dip-dip  2.72839E-01  2.72839E-01  2.72839E-01  3.08995E-01  3.45151E-01  3.08995E-01  2.96943E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.03669E-04  2.03669E-04  5.68838E-05  2.92088E-04  5.68838E-05  2.92088E-04  1.68534E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  8.97395E-03  6.68633E-18 -1.05986E-02 -7.89685E-18
   dip-dip  4.50603E-16  0.00000E+00  3.69716E-16  0.00000E+00
   dip-qua  8.97395E-03  6.68633E-18 -1.05986E-02 -7.89685E-18
   qua-qua  6.39523E-19  0.00000E+00  4.02453E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   8.00000 eV

 Vmoy = -16.61047 eV, Vmftabs = -19.85024 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.723E-06  1.388E-08    3.010E-03 -1.534E-05    5.639E-04 -2.881E-06
  1  0    1  1      1.437E-03  1.096E-05   -3.668E-02 -2.794E-04   -4.149E-03 -3.152E-05
  2  0    1  1      2.616E-04  2.744E-07   -1.092E-02 -1.134E-05   -2.089E-03 -2.143E-06
  3  0    1  1      2.531E-06 -1.285E-08   -1.395E-04  7.099E-07   -3.433E-05  1.750E-07
  4  0    1  1      4.709E-07 -3.748E-09   -3.189E-05  2.541E-07   -9.421E-06  7.517E-08

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 3

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.1994024194E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1994024194E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0452266122E-01

 Tensor_dq(1,ks,j2), prototypical atom
 -8.3826078865E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3826078865E-05 -7.0288580300E-05
  0.0000000000E+00 -7.0288580300E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  8.3826078865E-05  7.0288580300E-05
  8.3826078865E-05  0.0000000000E+00  0.0000000000E+00
  7.0288580300E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.7173809493E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0366839554E-04  8.0713338586E-06
  0.0000000000E+00  8.0713338586E-06 -1.8833595020E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.4034849698E-05  8.0713338586E-06
  3.4034849698E-05  0.0000000000E+00  0.0000000000E+00
  8.0713338586E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  8.0713338586E-06  1.0487967434E-05
  8.0713338586E-06  0.0000000000E+00  0.0000000000E+00
  1.0487967434E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.4034849698E-05  8.0713338586E-06
  3.4034849698E-05  0.0000000000E+00  0.0000000000E+00
  8.0713338586E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.0366839554E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7173809493E-04 -8.0713338586E-06
  0.0000000000E+00 -8.0713338586E-06 -1.8833595020E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  8.0713338586E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.0713338586E-06  1.0487967434E-05
  0.0000000000E+00  1.0487967434E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  8.0713338586E-06  1.0487967434E-05
  8.0713338586E-06  0.0000000000E+00  0.0000000000E+00
  1.0487967434E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  8.0713338586E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.0713338586E-06  1.0487967434E-05
  0.0000000000E+00  1.0487967434E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.8833595020E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8833595020E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.5524739973E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.5196414516E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5196414516E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.2713596730E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.0304285696E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2201037323E-04  4.8428003151E-05
  0.0000000000E+00  4.8428003151E-05 -1.1300157012E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.0420909819E-04  4.8428003151E-05
  2.0420909819E-04  0.0000000000E+00  0.0000000000E+00
  4.8428003151E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.8428003151E-05  6.2927804606E-05
  4.8428003151E-05  0.0000000000E+00  0.0000000000E+00
  6.2927804606E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.0420909819E-04  4.8428003151E-05
  2.0420909819E-04  0.0000000000E+00  0.0000000000E+00
  4.8428003151E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  6.2201037323E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0304285696E-03 -4.8428003151E-05
  0.0000000000E+00 -4.8428003151E-05 -1.1300157012E-04

 Crystal Tensor_qq(ke,je,3,2)
  4.8428003151E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.8428003151E-05  6.2927804606E-05
  0.0000000000E+00  6.2927804606E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.8428003151E-05  6.2927804606E-05
  4.8428003151E-05  0.0000000000E+00  0.0000000000E+00
  6.2927804606E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.8428003151E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.8428003151E-05  6.2927804606E-05
  0.0000000000E+00  6.2927804606E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.1300157012E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1300157012E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.5314843984E-04

 Convertion factor = 110.43841 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     8.000  2.52168E-01  2.52168E-01  2.52027E-01  4.39977E-01  6.27199E-01  4.39977E-01  3.77229E-01
   dip-dip  2.51964E-01  2.51964E-01  2.51964E-01  4.39550E-01  6.27136E-01  4.39550E-01  3.77021E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.04209E-04  2.04209E-04  6.29278E-05  4.27395E-04  6.29278E-05  4.27395E-04  2.07213E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.10570E-02  8.23833E-18 -8.29939E-03 -6.18372E-18
   dip-dip  2.33800E-15  0.00000E+00  1.91830E-15  0.00000E+00
   dip-qua  1.10570E-02  8.23833E-18 -8.29939E-03 -6.18372E-18
   qua-qua  6.86991E-19  0.00000E+00  4.16684E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   8.50000 eV

 Vmoy = -16.61723 eV, Vmftabs = -19.85470 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.652E-06  1.297E-08    2.932E-03 -1.433E-05    5.492E-04 -2.692E-06
  1  0    1  1      1.505E-03  1.253E-05   -3.842E-02 -3.193E-04   -4.347E-03 -3.602E-05
  2  0    1  1      2.626E-04  3.185E-07   -1.096E-02 -1.318E-05   -2.097E-03 -2.495E-06
  3  0    1  1      2.469E-06 -1.204E-08   -1.361E-04  6.650E-07   -3.348E-05  1.640E-07
  4  0    1  1      4.527E-07 -3.486E-09   -3.066E-05  2.363E-07   -9.057E-06  6.991E-08

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.9530345308E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9530345308E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3794028873E-01

 Tensor_dq(1,ks,j2), prototypical atom
 -1.8317767874E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8317767874E-04 -8.1136422039E-05
  0.0000000000E+00 -8.1136422039E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.8317767874E-04  8.1136422039E-05
  1.8317767874E-04  0.0000000000E+00  0.0000000000E+00
  8.1136422039E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.9207364152E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2120128061E-04  8.5407752210E-06
  0.0000000000E+00  8.5407752210E-06 -5.0575077494E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.5436180458E-05  8.5407752210E-06
  3.5436180458E-05  0.0000000000E+00  0.0000000000E+00
  8.5407752210E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  8.5407752210E-06  1.1985242948E-05
  8.5407752210E-06  0.0000000000E+00  0.0000000000E+00
  1.1985242948E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.5436180458E-05  8.5407752210E-06
  3.5436180458E-05  0.0000000000E+00  0.0000000000E+00
  8.5407752210E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.2120128061E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9207364152E-04 -8.5407752210E-06
  0.0000000000E+00 -8.5407752210E-06 -5.0575077494E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  8.5407752210E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.5407752210E-06  1.1985242948E-05
  0.0000000000E+00  1.1985242948E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  8.5407752210E-06  1.1985242948E-05
  8.5407752210E-06  0.0000000000E+00  0.0000000000E+00
  1.1985242948E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  8.5407752210E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.5407752210E-06  1.1985242948E-05
  0.0000000000E+00  1.1985242948E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.0575077494E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.0575077494E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0127319903E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.3718207185E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3718207185E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.2764173236E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.1524418491E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2720768366E-04  5.1244651326E-05
  0.0000000000E+00  5.1244651326E-05 -3.0345046496E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.1261708275E-04  5.1244651326E-05
  2.1261708275E-04  0.0000000000E+00  0.0000000000E+00
  5.1244651326E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  5.1244651326E-05  7.1911457688E-05
  5.1244651326E-05  0.0000000000E+00  0.0000000000E+00
  7.1911457688E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.1261708275E-04  5.1244651326E-05
  2.1261708275E-04  0.0000000000E+00  0.0000000000E+00
  5.1244651326E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  7.2720768366E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1524418491E-03 -5.1244651326E-05
  0.0000000000E+00 -5.1244651326E-05 -3.0345046496E-04

 Crystal Tensor_qq(ke,je,3,2)
  5.1244651326E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1244651326E-05  7.1911457688E-05
  0.0000000000E+00  7.1911457688E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  5.1244651326E-05  7.1911457688E-05
  5.1244651326E-05  0.0000000000E+00  0.0000000000E+00
  7.1911457688E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  5.1244651326E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1244651326E-05  7.1911457688E-05
  0.0000000000E+00  7.1911457688E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.0345046496E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0345046496E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0763919415E-04

 Convertion factor = 110.44556 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     8.500  2.37395E-01  2.37395E-01  2.37254E-01  5.33004E-01  8.27714E-01  5.33004E-01  4.34259E-01
   dip-dip  2.37182E-01  2.37182E-01  2.37182E-01  5.32412E-01  8.27642E-01  5.32412E-01  4.34002E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.12617E-04  2.12617E-04  7.19115E-05  5.91745E-04  7.19115E-05  5.91745E-04  2.57436E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.30125E-02  9.69541E-18 -7.42269E-03 -5.53051E-18
   dip-dip  3.67986E-15  0.00000E+00  3.01929E-15  0.00000E+00
   dip-qua  1.30125E-02  9.69541E-18 -7.42269E-03 -5.53051E-18
   qua-qua  7.47342E-19  0.00000E+00  4.39735E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   9.00000 eV

 Vmoy = -16.62434 eV, Vmftabs = -19.85912 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.585E-06  1.214E-08    2.858E-03 -1.341E-05    5.355E-04 -2.520E-06
  1  0    1  1      1.584E-03  1.439E-05   -4.042E-02 -3.667E-04   -4.572E-03 -4.138E-05
  2  0    1  1      2.638E-04  3.614E-07   -1.101E-02 -1.497E-05   -2.107E-03 -2.837E-06
  3  0    1  1      2.410E-06 -1.129E-08   -1.329E-04  6.238E-07   -3.269E-05  1.538E-07
  4  0    1  1      4.359E-07 -3.248E-09   -2.951E-05  2.202E-07   -8.720E-06  6.514E-08

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.7951126338E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7951126338E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1502785233E-01

 Tensor_dq(1,ks,j2), prototypical atom
 -2.5118300511E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5118300511E-04 -9.6546606509E-05
  0.0000000000E+00 -9.6546606509E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  2.5118300511E-04  9.6546606509E-05
  2.5118300511E-04  0.0000000000E+00  0.0000000000E+00
  9.6546606509E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.9662444862E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2086827242E-04  9.3005982280E-06
  0.0000000000E+00  9.3005982280E-06 -6.8974721576E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.7878088102E-05  9.3005982280E-06
  3.7878088102E-05  0.0000000000E+00  0.0000000000E+00
  9.3005982280E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  9.3005982280E-06  1.4204424163E-05
  9.3005982280E-06  0.0000000000E+00  0.0000000000E+00
  1.4204424163E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.7878088102E-05  9.3005982280E-06
  3.7878088102E-05  0.0000000000E+00  0.0000000000E+00
  9.3005982280E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.2086827242E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9662444862E-04 -9.3005982280E-06
  0.0000000000E+00 -9.3005982280E-06 -6.8974721576E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  9.3005982280E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.3005982280E-06  1.4204424163E-05
  0.0000000000E+00  1.4204424163E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  9.3005982280E-06  1.4204424163E-05
  9.3005982280E-06  0.0000000000E+00  0.0000000000E+00
  1.4204424163E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  9.3005982280E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.3005982280E-06  1.4204424163E-05
  0.0000000000E+00  1.4204424163E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.8974721576E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.8974721576E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2469494689E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.2770675803E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2770675803E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.9016711398E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.1797466917E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2520963452E-04  5.5803589368E-05
  0.0000000000E+00  5.5803589368E-05 -4.1384832945E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.2726852861E-04  5.5803589368E-05
  2.2726852861E-04  0.0000000000E+00  0.0000000000E+00
  5.5803589368E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  5.5803589368E-05  8.5226544979E-05
  5.5803589368E-05  0.0000000000E+00  0.0000000000E+00
  8.5226544979E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.2726852861E-04  5.5803589368E-05
  2.2726852861E-04  0.0000000000E+00  0.0000000000E+00
  5.5803589368E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  7.2520963452E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1797466917E-03 -5.5803589368E-05
  0.0000000000E+00 -5.5803589368E-05 -4.1384832945E-04

 Crystal Tensor_qq(ke,je,3,2)
  5.5803589368E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.5803589368E-05  8.5226544979E-05
  0.0000000000E+00  8.5226544979E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  5.5803589368E-05  8.5226544979E-05
  5.5803589368E-05  0.0000000000E+00  0.0000000000E+00
  8.5226544979E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  5.5803589368E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.5803589368E-05  8.5226544979E-05
  0.0000000000E+00  8.5226544979E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.1384832945E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.1384832945E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.4816968134E-04

 Convertion factor = 110.45272 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     9.000  2.27934E-01  2.27934E-01  2.27792E-01  4.59626E-01  6.90252E-01  4.59626E-01  3.82154E-01
   dip-dip  2.27707E-01  2.27707E-01  2.27707E-01  4.58937E-01  6.90167E-01  4.58937E-01  3.81860E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.27269E-04  2.27269E-04  8.52265E-05  6.88903E-04  8.52265E-05  6.88903E-04  2.93554E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.55805E-02  1.16087E-17 -8.00346E-03 -5.96323E-18
   dip-dip  2.88233E-15  0.00000E+00  2.36493E-15  0.00000E+00
   dip-qua  1.55805E-02  1.16087E-17 -8.00346E-03 -5.96323E-18
   qua-qua  8.52691E-19  0.00000E+00  4.87955E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =   9.50000 eV

 Vmoy = -16.63220 eV, Vmftabs = -19.86349 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.523E-06  1.138E-08    2.789E-03 -1.257E-05    5.226E-04 -2.362E-06
  1  0    1  1      1.674E-03  1.664E-05   -4.272E-02 -4.241E-04   -4.832E-03 -4.786E-05
  2  0    1  1      2.652E-04  4.031E-07   -1.107E-02 -1.671E-05   -2.118E-03 -3.169E-06
  3  0    1  1      2.355E-06 -1.061E-08   -1.298E-04  5.858E-07   -3.195E-05  1.445E-07
  4  0    1  1      4.202E-07 -3.031E-09   -2.845E-05  2.055E-07   -8.405E-06  6.079E-08

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.7072299033E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7072299033E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.6176087413E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -3.0042340695E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0042340695E-04 -1.1747744384E-04
  0.0000000000E+00 -1.1747744384E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.0042340695E-04  1.1747744384E-04
  3.0042340695E-04  0.0000000000E+00  0.0000000000E+00
  1.1747744384E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.8162451645E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.8984352835E-05  1.0397308395E-05
  0.0000000000E+00  1.0397308395E-05 -6.3148319196E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.1320081807E-05  1.0397308395E-05
  4.1320081807E-05  0.0000000000E+00  0.0000000000E+00
  1.0397308395E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.0397308395E-05  1.7465827619E-05
  1.0397308395E-05  0.0000000000E+00  0.0000000000E+00
  1.7465827619E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.1320081807E-05  1.0397308395E-05
  4.1320081807E-05  0.0000000000E+00  0.0000000000E+00
  1.0397308395E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  9.8984352835E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8162451645E-04 -1.0397308395E-05
  0.0000000000E+00 -1.0397308395E-05 -6.3148319196E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.0397308395E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0397308395E-05  1.7465827619E-05
  0.0000000000E+00  1.7465827619E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.0397308395E-05  1.7465827619E-05
  1.0397308395E-05  0.0000000000E+00  0.0000000000E+00
  1.7465827619E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.0397308395E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0397308395E-05  1.7465827619E-05
  0.0000000000E+00  1.7465827619E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.3148319196E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3148319196E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2846586773E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.2243379420E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2243379420E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.1705652448E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  1.0897470987E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9390611701E-04  6.2383850372E-05
  0.0000000000E+00  6.2383850372E-05 -3.7888991517E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.4792049084E-04  6.2383850372E-05
  2.4792049084E-04  0.0000000000E+00  0.0000000000E+00
  6.2383850372E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  6.2383850372E-05  1.0479496571E-04
  6.2383850372E-05  0.0000000000E+00  0.0000000000E+00
  1.0479496571E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.4792049084E-04  6.2383850372E-05
  2.4792049084E-04  0.0000000000E+00  0.0000000000E+00
  6.2383850372E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  5.9390611701E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0897470987E-03 -6.2383850372E-05
  0.0000000000E+00 -6.2383850372E-05 -3.7888991517E-04

 Crystal Tensor_qq(ke,je,3,2)
  6.2383850372E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.2383850372E-05  1.0479496571E-04
  0.0000000000E+00  1.0479496571E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  6.2383850372E-05  1.0479496571E-04
  6.2383850372E-05  0.0000000000E+00  0.0000000000E+00
  1.0479496571E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  6.2383850372E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.2383850372E-05  1.0479496571E-04
  0.0000000000E+00  1.0479496571E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.7888991517E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7888991517E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7079520638E-04

 Convertion factor = 110.45987 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
     9.500  2.22682E-01  2.22682E-01  2.22539E-01  3.70400E-01  5.17161E-01  3.70400E-01  3.20940E-01
   dip-dip  2.22434E-01  2.22434E-01  2.22434E-01  3.69745E-01  5.17057E-01  3.69745E-01  3.20641E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.47920E-04  2.47920E-04  1.04795E-04  6.54581E-04  1.04795E-04  6.54581E-04  2.99113E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.89445E-02  1.41152E-17 -9.86946E-03 -7.35356E-18
   dip-dip  1.83639E-15  0.00000E+00  1.50674E-15  0.00000E+00
   dip-qua  1.89445E-02  1.41152E-17 -9.86946E-03 -7.35356E-18
   qua-qua  1.02496E-18  0.00000E+00  5.72417E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  10.00000 eV

 Vmoy = -16.64095 eV, Vmftabs = -19.86782 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.464E-06  1.069E-08    2.724E-03 -1.180E-05    5.104E-04 -2.218E-06
  1  0    1  1      1.780E-03  1.941E-05   -4.542E-02 -4.948E-04   -5.137E-03 -5.585E-05
  2  0    1  1      2.668E-04  4.436E-07   -1.113E-02 -1.840E-05   -2.130E-03 -3.492E-06
  3  0    1  1      2.304E-06 -9.972E-09   -1.270E-04  5.508E-07   -3.125E-05  1.359E-07
  4  0    1  1      4.055E-07 -2.833E-09   -2.745E-05  1.921E-07   -8.112E-06  5.683E-08

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.6604195906E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6604195906E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.9990403602E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -3.3464923196E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3464923196E-04 -1.4115450932E-04
  0.0000000000E+00 -1.4115450932E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.3464923196E-04  1.4115450932E-04
  3.3464923196E-04  0.0000000000E+00  0.0000000000E+00
  1.4115450932E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.6403465507E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2610335014E-05  1.1785295349E-05
  0.0000000000E+00  1.1785295349E-05 -4.5947235676E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.5712160027E-05  1.1785295349E-05
  4.5712160027E-05  0.0000000000E+00  0.0000000000E+00
  1.1785295349E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.1785295349E-05  2.2125835517E-05
  1.1785295349E-05  0.0000000000E+00  0.0000000000E+00
  2.2125835517E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.5712160027E-05  1.1785295349E-05
  4.5712160027E-05  0.0000000000E+00  0.0000000000E+00
  1.1785295349E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  7.2610335014E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6403465507E-04 -1.1785295349E-05
  0.0000000000E+00 -1.1785295349E-05 -4.5947235676E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.1785295349E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1785295349E-05  2.2125835517E-05
  0.0000000000E+00  2.2125835517E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.1785295349E-05  2.2125835517E-05
  1.1785295349E-05  0.0000000000E+00  0.0000000000E+00
  2.2125835517E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.1785295349E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1785295349E-05  2.2125835517E-05
  0.0000000000E+00  2.2125835517E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.5947235676E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.5947235676E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1895648718E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.1962517544E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1962517544E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.1994242161E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.8420793041E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3566201009E-04  7.0711772092E-05
  0.0000000000E+00  7.0711772092E-05 -2.7568341406E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.7427296016E-04  7.0711772092E-05
  2.7427296016E-04  0.0000000000E+00  0.0000000000E+00
  7.0711772092E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  7.0711772092E-05  1.3275501310E-04
  7.0711772092E-05  0.0000000000E+00  0.0000000000E+00
  1.3275501310E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.7427296016E-04  7.0711772092E-05
  2.7427296016E-04  0.0000000000E+00  0.0000000000E+00
  7.0711772092E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  4.3566201009E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.8420793041E-04 -7.0711772092E-05
  0.0000000000E+00 -7.0711772092E-05 -2.7568341406E-04

 Crystal Tensor_qq(ke,je,3,2)
  7.0711772092E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.0711772092E-05  1.3275501310E-04
  0.0000000000E+00  1.3275501310E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  7.0711772092E-05  1.3275501310E-04
  7.0711772092E-05  0.0000000000E+00  0.0000000000E+00
  1.3275501310E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  7.0711772092E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.0711772092E-05  1.3275501310E-04
  0.0000000000E+00  1.3275501310E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.7568341406E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.7568341406E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.1373892311E-04

 Convertion factor = 110.46703 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    10.000  2.19899E-01  2.19899E-01  2.19758E-01  3.20346E-01  4.20075E-01  3.20346E-01  2.86692E-01
   dip-dip  2.19625E-01  2.19625E-01  2.19625E-01  3.19784E-01  4.19942E-01  3.19784E-01  2.86398E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.74273E-04  2.74273E-04  1.32755E-04  5.62328E-04  1.32755E-04  5.62328E-04  2.94481E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.26885E-02  1.69048E-17 -1.25169E-02 -9.32613E-18
   dip-dip  1.24866E-15  0.00000E+00  1.02451E-15  0.00000E+00
   dip-qua  2.26885E-02  1.69048E-17 -1.25169E-02 -9.32613E-18
   qua-qua  1.25937E-18  0.00000E+00  6.86680E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  11.00000 eV

 Vmoy = -16.66096 eV, Vmftabs = -19.87636 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.357E-06  9.452E-09    2.605E-03 -1.044E-05    4.881E-04 -1.962E-06
  1  0    1  1      2.053E-03  2.735E-05   -5.239E-02 -6.971E-04   -5.925E-03 -7.871E-05
  2  0    1  1      2.703E-04  5.214E-07   -1.128E-02 -2.165E-05   -2.158E-03 -4.113E-06
  3  0    1  1      2.211E-06 -8.844E-09   -1.219E-04  4.886E-07   -2.998E-05  1.205E-07
  4  0    1  1      3.791E-07 -2.487E-09   -2.566E-05  1.686E-07   -7.583E-06  4.989E-08

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.5637574606E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5637574606E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9218638702E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -3.5233214189E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5233214189E-04 -1.5847953617E-04
  0.0000000000E+00 -1.5847953617E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.5233214189E-04  1.5847953617E-04
  3.5233214189E-04  0.0000000000E+00  0.0000000000E+00
  1.5847953617E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5060423392E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7340808739E-05  1.4395649728E-05
  0.0000000000E+00  1.4395649728E-05 -1.6794063805E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.6631712592E-05  1.4395649728E-05
  5.6631712592E-05  0.0000000000E+00  0.0000000000E+00
  1.4395649728E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.4395649728E-05  3.5590974540E-05
  1.4395649728E-05  0.0000000000E+00  0.0000000000E+00
  3.5590974540E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.6631712592E-05  1.4395649728E-05
  5.6631712592E-05  0.0000000000E+00  0.0000000000E+00
  1.4395649728E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.7340808739E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5060423392E-04 -1.4395649728E-05
  0.0000000000E+00 -1.4395649728E-05 -1.6794063805E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.4395649728E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4395649728E-05  3.5590974540E-05
  0.0000000000E+00  3.5590974540E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.4395649728E-05  3.5590974540E-05
  1.4395649728E-05  0.0000000000E+00  0.0000000000E+00
  3.5590974540E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.4395649728E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4395649728E-05  3.5590974540E-05
  0.0000000000E+00  3.5590974540E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.6794063805E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6794063805E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0100799262E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.1382544764E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1382544764E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5531183221E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.0362540354E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2404485243E-04  8.6373898369E-05
  0.0000000000E+00  8.6373898369E-05 -1.0076438283E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.3979027555E-04  8.6373898369E-05
  3.3979027555E-04  0.0000000000E+00  0.0000000000E+00
  8.6373898369E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  8.6373898369E-05  2.1354584724E-04
  8.6373898369E-05  0.0000000000E+00  0.0000000000E+00
  2.1354584724E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.3979027555E-04  8.6373898369E-05
  3.3979027555E-04  0.0000000000E+00  0.0000000000E+00
  8.6373898369E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.2404485243E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0362540354E-04 -8.6373898369E-05
  0.0000000000E+00 -8.6373898369E-05 -1.0076438283E-04

 Crystal Tensor_qq(ke,je,3,2)
  8.6373898369E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.6373898369E-05  2.1354584724E-04
  0.0000000000E+00  2.1354584724E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  8.6373898369E-05  2.1354584724E-04
  8.6373898369E-05  0.0000000000E+00  0.0000000000E+00
  2.1354584724E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  8.6373898369E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.6373898369E-05  2.1354584724E-04
  0.0000000000E+00  2.1354584724E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.0076438283E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0076438283E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0604795570E-04

 Convertion factor = 110.48134 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    11.000  2.14165E-01  2.14165E-01  2.14039E-01  2.84996E-01  3.55525E-01  2.84996E-01  2.61300E-01
   dip-dip  2.13825E-01  2.13825E-01  2.13825E-01  2.84569E-01  3.55312E-01  2.84569E-01  2.60988E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.39790E-04  3.39790E-04  2.13546E-04  4.27801E-04  2.13546E-04  4.27801E-04  3.12762E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.54093E-02  1.89320E-17 -1.46394E-02 -1.09076E-17
   dip-dip  8.82058E-16  0.00000E+00  7.23720E-16  0.00000E+00
   dip-qua  2.54093E-02  1.89320E-17 -1.46394E-02 -1.09076E-17
   qua-qua  1.74580E-18  0.00000E+00  9.13984E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  12.00000 eV

 Vmoy = -16.68388 eV, Vmftabs = -19.88474 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.261E-06  8.400E-09    2.499E-03 -9.276E-06    4.682E-04 -1.744E-06
  1  0    1  1      2.454E-03  4.104E-05   -6.262E-02 -1.046E-03   -7.081E-03 -1.182E-04
  2  0    1  1      2.744E-04  5.955E-07   -1.145E-02 -2.474E-05   -2.191E-03 -4.703E-06
  3  0    1  1      2.129E-06 -7.875E-09   -1.173E-04  4.351E-07   -2.887E-05  1.074E-07
  4  0    1  1      3.560E-07 -2.196E-09   -2.410E-05  1.489E-07   -7.120E-06  4.406E-08

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.4012552798E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4012552798E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.7393540664E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -3.2096612345E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2096612345E-04 -6.8378412988E-05
  0.0000000000E+00 -6.8378412988E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.2096612345E-04  6.8378412988E-05
  3.2096612345E-04  0.0000000000E+00  0.0000000000E+00
  6.8378412988E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5548931972E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0586546986E-05  1.4451842116E-05
  0.0000000000E+00  1.4451842116E-05  1.0019262057E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.7451386368E-05  1.4451842116E-05
  6.7451386368E-05  0.0000000000E+00  0.0000000000E+00
  1.4451842116E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.4451842116E-05  4.7103153601E-05
  1.4451842116E-05  0.0000000000E+00  0.0000000000E+00
  4.7103153601E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.7451386368E-05  1.4451842116E-05
  6.7451386368E-05  0.0000000000E+00  0.0000000000E+00
  1.4451842116E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.0586546986E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5548931972E-04 -1.4451842116E-05
  0.0000000000E+00 -1.4451842116E-05  1.0019262057E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  1.4451842116E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4451842116E-05  4.7103153601E-05
  0.0000000000E+00  4.7103153601E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.4451842116E-05  4.7103153601E-05
  1.4451842116E-05  0.0000000000E+00  0.0000000000E+00
  4.7103153601E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.4451842116E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4451842116E-05  4.7103153601E-05
  0.0000000000E+00  4.7103153601E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.0019262057E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0019262057E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.6379528178E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0407531679E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0407531679E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4436124398E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.3293591834E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2351928192E-04  8.6711052694E-05
  0.0000000000E+00  8.6711052694E-05  6.0115572343E-06

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.0470831821E-04  8.6711052694E-05
  4.0470831821E-04  0.0000000000E+00  0.0000000000E+00
  8.6711052694E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  8.6711052694E-05  2.8261892160E-04
  8.6711052694E-05  0.0000000000E+00  0.0000000000E+00
  2.8261892160E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.0470831821E-04  8.6711052694E-05
  4.0470831821E-04  0.0000000000E+00  0.0000000000E+00
  8.6711052694E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.2351928192E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.3293591834E-04 -8.6711052694E-05
  0.0000000000E+00 -8.6711052694E-05  6.0115572343E-06

 Crystal Tensor_qq(ke,je,3,2)
  8.6711052694E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.6711052694E-05  2.8261892160E-04
  0.0000000000E+00  2.8261892160E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  8.6711052694E-05  2.8261892160E-04
  8.6711052694E-05  0.0000000000E+00  0.0000000000E+00
  2.8261892160E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  8.6711052694E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.6711052694E-05  2.8261892160E-04
  0.0000000000E+00  2.8261892160E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  6.0115572343E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.0115572343E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.7827716907E-04

 Convertion factor = 110.49565 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    12.000  2.04480E-01  2.04480E-01  2.04358E-01  2.74593E-01  3.44644E-01  2.74593E-01  2.51185E-01
   dip-dip  2.04075E-01  2.04075E-01  2.04075E-01  2.74218E-01  3.44361E-01  2.74218E-01  2.50837E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.04708E-04  4.04708E-04  2.82619E-04  3.74797E-04  2.82619E-04  3.74797E-04  3.47896E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.14503E-02  8.53142E-18 -2.09587E-03 -1.56160E-18
   dip-dip  8.74687E-16  0.00000E+00  7.17672E-16  0.00000E+00
   dip-qua  1.14503E-02  8.53142E-18 -2.09587E-03 -1.56160E-18
   qua-qua  1.78245E-18  0.00000E+00  9.32498E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  13.00000 eV

 Vmoy = -16.70896 eV, Vmftabs = -19.89298 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.175E-06  7.499E-09    2.404E-03 -8.280E-06    4.505E-04 -1.557E-06
  1  0    1  1      3.088E-03  6.779E-05   -7.878E-02 -1.728E-03   -8.908E-03 -1.952E-04
  2  0    1  1      2.791E-04  6.666E-07   -1.164E-02 -2.770E-05   -2.228E-03 -5.270E-06
  3  0    1  1      2.056E-06 -7.037E-09   -1.133E-04  3.889E-07   -2.788E-05  9.598E-08
  4  0    1  1      3.356E-07 -1.949E-09   -2.272E-05  1.321E-07   -6.712E-06  3.911E-08

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.3022584719E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3022584719E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.3321404202E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -3.0843696769E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0843696769E-04  5.5318149874E-05
  0.0000000000E+00  5.5318149874E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.0843696769E-04 -5.5318149874E-05
  3.0843696769E-04  0.0000000000E+00  0.0000000000E+00
 -5.5318149874E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.6024958561E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7377151908E-05  1.2384317092E-05
  0.0000000000E+00  1.2384317092E-05  1.3240960615E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.1436216852E-05  1.2384317092E-05
  7.1436216852E-05  0.0000000000E+00  0.0000000000E+00
  1.2384317092E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.2384317092E-05  4.9165248143E-05
  1.2384317092E-05  0.0000000000E+00  0.0000000000E+00
  4.9165248143E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.1436216852E-05  1.2384317092E-05
  7.1436216852E-05  0.0000000000E+00  0.0000000000E+00
  1.2384317092E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.7377151908E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6024958561E-04 -1.2384317092E-05
  0.0000000000E+00 -1.2384317092E-05  1.3240960615E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.2384317092E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2384317092E-05  4.9165248143E-05
  0.0000000000E+00  4.9165248143E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.2384317092E-05  4.9165248143E-05
  1.2384317092E-05  0.0000000000E+00  0.0000000000E+00
  4.9165248143E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.2384317092E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2384317092E-05  4.9165248143E-05
  0.0000000000E+00  4.9165248143E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.3240960615E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3240960615E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0044088670E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.9813550831E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9813550831E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1992842521E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.6149751367E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0426291145E-04  7.4305902551E-05
  0.0000000000E+00  7.4305902551E-05  7.9445763692E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.2861730111E-04  7.4305902551E-05
  4.2861730111E-04  0.0000000000E+00  0.0000000000E+00
  7.4305902551E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  7.4305902551E-05  2.9499148886E-04
  7.4305902551E-05  0.0000000000E+00  0.0000000000E+00
  2.9499148886E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.2861730111E-04  7.4305902551E-05
  4.2861730111E-04  0.0000000000E+00  0.0000000000E+00
  7.4305902551E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.0426291145E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.6149751367E-04 -7.4305902551E-05
  0.0000000000E+00 -7.4305902551E-05  7.9445763692E-05

 Crystal Tensor_qq(ke,je,3,2)
  7.4305902551E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.4305902551E-05  2.9499148886E-04
  0.0000000000E+00  2.9499148886E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  7.4305902551E-05  2.9499148886E-04
  7.4305902551E-05  0.0000000000E+00  0.0000000000E+00
  2.9499148886E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  7.4305902551E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.4305902551E-05  2.9499148886E-04
  0.0000000000E+00  2.9499148886E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  7.9445763692E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9445763692E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0264532017E-04

 Convertion factor = 110.50996 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    13.000  1.98564E-01  1.98564E-01  1.98430E-01  2.59383E-01  3.20223E-01  2.59383E-01  2.39088E-01
   dip-dip  1.98136E-01  1.98136E-01  1.98136E-01  2.59032E-01  3.19928E-01  2.59032E-01  2.38733E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.28617E-04  4.28617E-04  2.94991E-04  3.51313E-04  2.94991E-04  3.51313E-04  3.54552E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.63114E-03 -5.68582E-18  1.58923E-02  1.18410E-17
   dip-dip  7.59481E-16  0.00000E+00  6.23147E-16  0.00000E+00
   dip-qua -7.63114E-03 -5.68582E-18  1.58923E-02  1.18410E-17
   qua-qua  1.41965E-18  0.00000E+00  7.69686E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  14.00000 eV

 Vmoy = -16.73581 eV, Vmftabs = -19.90107 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.098E-06  6.722E-09    2.319E-03 -7.421E-06    4.345E-04 -1.396E-06
  1  0    1  1      4.226E-03  1.317E-04   -1.078E-01 -3.357E-03   -1.219E-02 -3.793E-04
  2  0    1  1      2.842E-04  7.351E-07   -1.186E-02 -3.055E-05   -2.268E-03 -5.815E-06
  3  0    1  1      1.991E-06 -6.308E-09   -1.097E-04  3.486E-07   -2.700E-05  8.607E-08
  4  0    1  1      3.176E-07 -1.738E-09   -2.149E-05  1.178E-07   -6.352E-06  3.489E-08

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 4

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.2970407211E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2970407211E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.5090970280E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -3.2136297035E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2136297035E-04  1.2378831177E-04
  0.0000000000E+00  1.2378831177E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.2136297035E-04 -1.2378831177E-04
  3.2136297035E-04  0.0000000000E+00  0.0000000000E+00
 -1.2378831177E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5655182153E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4757224133E-05  9.3906234500E-06
  0.0000000000E+00  9.3906234500E-06  2.1616426406E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.5897298697E-05  9.3906234500E-06
  6.5897298697E-05  0.0000000000E+00  0.0000000000E+00
  9.3906234500E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  9.3906234500E-06  4.6747160695E-05
  9.3906234500E-06  0.0000000000E+00  0.0000000000E+00
  4.6747160695E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.5897298697E-05  9.3906234500E-06
  6.5897298697E-05  0.0000000000E+00  0.0000000000E+00
  9.3906234500E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.4757224133E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5655182153E-04 -9.3906234500E-06
  0.0000000000E+00 -9.3906234500E-06  2.1616426406E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  9.3906234500E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.3906234500E-06  4.6747160695E-05
  0.0000000000E+00  4.6747160695E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  9.3906234500E-06  4.6747160695E-05
  9.3906234500E-06  0.0000000000E+00  0.0000000000E+00
  4.6747160695E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  9.3906234500E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.3906234500E-06  4.6747160695E-05
  0.0000000000E+00  4.6747160695E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.1616426406E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1616426406E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0763604240E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.9782244327E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9782244327E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7054582168E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.3931092916E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4854334480E-04  5.6343740700E-05
  0.0000000000E+00  5.6343740700E-05  1.2969855844E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.9538379218E-04  5.6343740700E-05
  3.9538379218E-04  0.0000000000E+00  0.0000000000E+00
  5.6343740700E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  5.6343740700E-05  2.8048296417E-04
  5.6343740700E-05  0.0000000000E+00  0.0000000000E+00
  2.8048296417E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.9538379218E-04  5.6343740700E-05
  3.9538379218E-04  0.0000000000E+00  0.0000000000E+00
  5.6343740700E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.4854334480E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.3931092916E-04 -5.6343740700E-05
  0.0000000000E+00 -5.6343740700E-05  1.2969855844E-04

 Crystal Tensor_qq(ke,je,3,2)
  5.6343740700E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6343740700E-05  2.8048296417E-04
  0.0000000000E+00  2.8048296417E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  5.6343740700E-05  2.8048296417E-04
  5.6343740700E-05  0.0000000000E+00  0.0000000000E+00
  2.8048296417E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  5.6343740700E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6343740700E-05  2.8048296417E-04
  0.0000000000E+00  2.8048296417E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.2969855844E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2969855844E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.4581625439E-04

 Convertion factor = 110.52427 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    14.000  1.98218E-01  1.98218E-01  1.98103E-01  2.34516E-01  2.70826E-01  2.34516E-01  2.22396E-01
   dip-dip  1.97822E-01  1.97822E-01  1.97822E-01  2.34184E-01  2.70546E-01  2.34184E-01  2.22064E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.95384E-04  3.95384E-04  2.80483E-04  3.31433E-04  2.80483E-04  3.31433E-04  3.32370E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.81394E-02 -1.35154E-17  2.63492E-02  1.96323E-17
   dip-dip  4.53550E-16  0.00000E+00  3.72133E-16  0.00000E+00
   dip-qua -1.81394E-02 -1.35154E-17  2.63492E-02  1.96323E-17
   qua-qua  1.02421E-18  0.00000E+00  5.68382E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  15.00000 eV

 Vmoy = -16.76312 eV, Vmftabs = -19.90903 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.029E-06  6.049E-09    2.243E-03 -6.678E-06    4.202E-04 -1.257E-06
  1  0    1  1      6.804E-03  3.528E-04   -1.735E-01 -8.994E-03   -1.962E-02 -1.016E-03
  2  0    1  1      2.899E-04  8.018E-07   -1.209E-02 -3.333E-05   -2.313E-03 -6.345E-06
  3  0    1  1      1.933E-06 -5.670E-09   -1.065E-04  3.134E-07   -2.621E-05  7.739E-08
  4  0    1  1      3.016E-07 -1.557E-09   -2.041E-05  1.056E-07   -6.031E-06  3.126E-08

 iapr =  1, Z = 27, lmax = 4

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.3426404895E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3426404895E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6347087667E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -3.3286631726E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3286631726E-04  1.5220060027E-04
  0.0000000000E+00  1.5220060027E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.3286631726E-04 -1.5220060027E-04
  3.3286631726E-04  0.0000000000E+00  0.0000000000E+00
 -1.5220060027E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4833803836E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3540700797E-05  6.3023371901E-06
  0.0000000000E+00  6.3023371901E-06  2.5695237387E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.7398668784E-05  6.3023371901E-06
  5.7398668784E-05  0.0000000000E+00  0.0000000000E+00
  6.3023371901E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  6.3023371901E-06  4.4195636142E-05
  6.3023371901E-06  0.0000000000E+00  0.0000000000E+00
  4.4195636142E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.7398668784E-05  6.3023371901E-06
  5.7398668784E-05  0.0000000000E+00  0.0000000000E+00
  6.3023371901E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.3540700797E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4833803836E-04 -6.3023371901E-06
  0.0000000000E+00 -6.3023371901E-06  2.5695237387E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  6.3023371901E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3023371901E-06  4.4195636142E-05
  0.0000000000E+00  4.4195636142E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  6.3023371901E-06  4.4195636142E-05
  6.3023371901E-06  0.0000000000E+00  0.0000000000E+00
  4.4195636142E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  6.3023371901E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3023371901E-06  4.4195636142E-05
  0.0000000000E+00  4.4195636142E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.5695237387E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5695237387E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1273694732E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0055842937E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0055842937E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1808252600E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.9002823019E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0124420478E-04  3.7814023141E-05
  0.0000000000E+00  3.7814023141E-05  1.5417142432E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.4439201270E-04  3.7814023141E-05
  3.4439201270E-04  0.0000000000E+00  0.0000000000E+00
  3.7814023141E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.7814023141E-05  2.6517381685E-04
  3.7814023141E-05  0.0000000000E+00  0.0000000000E+00
  2.6517381685E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.4439201270E-04  3.7814023141E-05
  3.4439201270E-04  0.0000000000E+00  0.0000000000E+00
  3.7814023141E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.0124420478E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9002823019E-04 -3.7814023141E-05
  0.0000000000E+00 -3.7814023141E-05  1.5417142432E-04

 Crystal Tensor_qq(ke,je,3,2)
  3.7814023141E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7814023141E-05  2.6517381685E-04
  0.0000000000E+00  2.6517381685E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.7814023141E-05  2.6517381685E-04
  3.7814023141E-05  0.0000000000E+00  0.0000000000E+00
  2.6517381685E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.7814023141E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7814023141E-05  2.6517381685E-04
  0.0000000000E+00  2.6517381685E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.5417142432E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5417142432E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7642168390E-04

 Convertion factor = 110.53859 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    15.000  2.00903E-01  2.00903E-01  2.00824E-01  2.09635E-01  2.18348E-01  2.09635E-01  2.06705E-01
   dip-dip  2.00558E-01  2.00558E-01  2.00558E-01  2.09320E-01  2.18083E-01  2.09320E-01  2.06400E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.44392E-04  3.44392E-04  2.65174E-04  3.14527E-04  2.65174E-04  3.14527E-04  3.04741E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.24848E-02 -1.67530E-17  3.08449E-02  2.29820E-17
   dip-dip  1.09306E-16  0.00000E+00  8.96843E-17  0.00000E+00
   dip-qua -2.24848E-02 -1.67530E-17  3.08449E-02  2.29820E-17
   qua-qua  6.77996E-19  0.00000E+00  3.78025E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  16.00000 eV

 Vmoy = -16.78975 eV, Vmftabs = -19.91686 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.967E-06  5.466E-09    2.174E-03 -6.033E-06    4.073E-04 -1.136E-06
  1  0    1  1      1.781E-02  2.526E-03   -4.541E-01 -6.440E-02   -5.133E-02 -7.279E-03
  2  0    1  1      2.961E-04  8.674E-07   -1.235E-02 -3.606E-05   -2.363E-03 -6.868E-06
  3  0    1  1      1.882E-06 -5.107E-09   -1.037E-04  2.823E-07   -2.551E-05  6.975E-08
  4  0    1  1      2.872E-07 -1.401E-09   -1.943E-05  9.495E-08   -5.743E-06  2.812E-08

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.4031503569E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4031503569E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9773812352E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -3.3338173982E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3338173982E-04  1.6017774899E-04
  0.0000000000E+00  1.6017774899E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.3338173982E-04 -1.6017774899E-04
  3.3338173982E-04  0.0000000000E+00  0.0000000000E+00
 -1.6017774899E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3986186522E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7740709799E-05  3.7115681081E-06
  0.0000000000E+00  3.7115681081E-06  2.5739452943E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.1060577712E-05  3.7115681081E-06
  5.1060577712E-05  0.0000000000E+00  0.0000000000E+00
  3.7115681081E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  3.7115681081E-06  4.2344981775E-05
  3.7115681081E-06  0.0000000000E+00  0.0000000000E+00
  4.2344981775E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.1060577712E-05  3.7115681081E-06
  5.1060577712E-05  0.0000000000E+00  0.0000000000E+00
  3.7115681081E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.7740709799E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3986186522E-04 -3.7115681081E-06
  0.0000000000E+00 -3.7115681081E-06  2.5739452943E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.7115681081E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7115681081E-06  4.2344981775E-05
  0.0000000000E+00  4.2344981775E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  3.7115681081E-06  4.2344981775E-05
  3.7115681081E-06  0.0000000000E+00  0.0000000000E+00
  4.2344981775E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.7115681081E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7115681081E-06  4.2344981775E-05
  0.0000000000E+00  4.2344981775E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.5739452943E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5739452943E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1318469002E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0418902141E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0418902141E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7864287411E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.3917119133E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2644425879E-04  2.2269408648E-05
  0.0000000000E+00  2.2269408648E-05  1.5443671766E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.0636346627E-04  2.2269408648E-05
  3.0636346627E-04  0.0000000000E+00  0.0000000000E+00
  2.2269408648E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.2269408648E-05  2.5406989065E-04
  2.2269408648E-05  0.0000000000E+00  0.0000000000E+00
  2.5406989065E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.0636346627E-04  2.2269408648E-05
  3.0636346627E-04  0.0000000000E+00  0.0000000000E+00
  2.2269408648E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.2644425879E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3917119133E-04 -2.2269408648E-05
  0.0000000000E+00 -2.2269408648E-05  1.5443671766E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.2269408648E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2269408648E-05  2.5406989065E-04
  0.0000000000E+00  2.5406989065E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.2269408648E-05  2.5406989065E-04
  2.2269408648E-05  0.0000000000E+00  0.0000000000E+00
  2.5406989065E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.2269408648E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2269408648E-05  2.5406989065E-04
  0.0000000000E+00  2.5406989065E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.5443671766E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5443671766E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7910814013E-04

 Convertion factor = 110.55290 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    16.000  2.04495E-01  2.04495E-01  2.04443E-01  1.91718E-01  1.78897E-01  1.91718E-01  1.95958E-01
   dip-dip  2.04189E-01  2.04189E-01  2.04189E-01  1.91416E-01  1.78643E-01  1.91416E-01  1.95674E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.06363E-04  3.06363E-04  2.54070E-04  3.02351E-04  2.54070E-04  3.02351E-04  2.84376E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.37150E-02 -1.76696E-17  3.20425E-02  2.38743E-17
   dip-dip -1.59364E-16  0.00000E+00 -1.30756E-16  0.00000E+00
   dip-qua -2.37150E-02 -1.76696E-17  3.20425E-02  2.38743E-17
   qua-qua  3.76026E-19  0.00000E+00  2.15027E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  17.00000 eV

 Vmoy = -16.81541 eV, Vmftabs = -19.93406 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.910E-06  4.958E-09    2.112E-03 -5.472E-06    3.957E-04 -1.030E-06
  1  0    1  1     -2.621E-02  5.761E-03    6.683E-01 -1.469E-01    7.554E-02 -1.661E-02
  2  0    1  1      3.033E-04  9.360E-07   -1.265E-02 -3.891E-05   -2.420E-03 -7.413E-06
  3  0    1  1      1.833E-06 -4.601E-09   -1.010E-04  2.544E-07   -2.485E-05  6.287E-08
  4  0    1  1      2.738E-07 -1.262E-09   -1.853E-05  8.555E-08   -5.476E-06  2.534E-08

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 4

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.4464710430E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4464710430E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5661409385E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -3.2531286821E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2531286821E-04  1.4894253715E-04
  0.0000000000E+00  1.4894253715E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.2531286821E-04 -1.4894253715E-04
  3.2531286821E-04  0.0000000000E+00  0.0000000000E+00
 -1.4894253715E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3226252236E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6684159961E-05  1.4374960914E-06
  0.0000000000E+00  1.4374960914E-06  2.3285531067E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.7789181201E-05  1.4374960914E-06
  4.7789181201E-05  0.0000000000E+00  0.0000000000E+00
  1.4374960914E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00  1.4374960914E-06  4.1388976545E-05
  1.4374960914E-06  0.0000000000E+00  0.0000000000E+00
  4.1388976545E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.7789181201E-05  1.4374960914E-06
  4.7789181201E-05  0.0000000000E+00  0.0000000000E+00
  1.4374960914E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.6684159961E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3226252236E-04 -1.4374960914E-06
  0.0000000000E+00 -1.4374960914E-06  2.3285531067E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.4374960914E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4374960914E-06  4.1388976545E-05
  0.0000000000E+00  4.1388976545E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00  1.4374960914E-06  4.1388976545E-05
  1.4374960914E-06  0.0000000000E+00  0.0000000000E+00
  4.1388976545E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.4374960914E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4374960914E-06  4.1388976545E-05
  0.0000000000E+00  4.1388976545E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.3285531067E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3285531067E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0967691357E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0678826258E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0678826258E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5396845631E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  7.9357513417E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2010495976E-04  8.6249765484E-06
  0.0000000000E+00  8.6249765484E-06  1.3971318640E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.8673508721E-04  8.6249765484E-06
  2.8673508721E-04  0.0000000000E+00  0.0000000000E+00
  8.6249765484E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  8.6249765484E-06  2.4833385927E-04
  8.6249765484E-06  0.0000000000E+00  0.0000000000E+00
  2.4833385927E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.8673508721E-04  8.6249765484E-06
  2.8673508721E-04  0.0000000000E+00  0.0000000000E+00
  8.6249765484E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.2010495976E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9357513417E-04 -8.6249765484E-06
  0.0000000000E+00 -8.6249765484E-06  1.3971318640E-04

 Crystal Tensor_qq(ke,je,3,2)
  8.6249765484E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.6249765484E-06  2.4833385927E-04
  0.0000000000E+00  2.4833385927E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  8.6249765484E-06  2.4833385927E-04
  8.6249765484E-06  0.0000000000E+00  0.0000000000E+00
  2.4833385927E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  8.6249765484E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.6249765484E-06  2.4833385927E-04
  0.0000000000E+00  2.4833385927E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.3971318640E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3971318640E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.5806148145E-04

 Convertion factor = 110.56721 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    17.000  2.07075E-01  2.07075E-01  2.07037E-01  1.80671E-01  1.54217E-01  1.80671E-01  1.89455E-01
   dip-dip  2.06788E-01  2.06788E-01  2.06788E-01  1.80378E-01  1.53968E-01  1.80378E-01  1.89182E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.86735E-04  2.86735E-04  2.48334E-04  2.93053E-04  2.48334E-04  2.93053E-04  2.73059E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.20104E-02 -1.63995E-17  3.01818E-02  2.24879E-17
   dip-dip -3.29546E-16  0.00000E+00 -2.70390E-16  0.00000E+00
   dip-qua -2.20104E-02 -1.63995E-17  3.01818E-02  2.24879E-17
   qua-qua  7.41280E-20  0.00000E+00  6.16061E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  18.00000 eV

 Vmoy = -16.83927 eV, Vmftabs = -19.96373 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.860E-06  4.514E-09    2.056E-03 -4.981E-06    3.852E-04 -9.382E-07
  1  0    1  1     -7.838E-03  5.043E-04    1.998E-01 -1.286E-02    2.258E-02 -1.454E-03
  2  0    1  1      3.116E-04  1.009E-06   -1.300E-02 -4.196E-05   -2.486E-03 -7.995E-06
  3  0    1  1      1.788E-06 -4.145E-09   -9.849E-05  2.292E-07   -2.423E-05  5.668E-08
  4  0    1  1      2.614E-07 -1.139E-09   -1.769E-05  7.721E-08   -5.227E-06  2.287E-08
  5  0    1  1      7.505E-08 -4.755E-10   -5.995E-06  3.803E-08   -2.055E-06  1.306E-08

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 5

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.4558910068E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4558910068E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3482166444E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -3.1102459126E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1102459126E-04  1.1730771792E-04
  0.0000000000E+00  1.1730771792E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.1102459126E-04 -1.1730771792E-04
  3.1102459126E-04  0.0000000000E+00  0.0000000000E+00
 -1.1730771792E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2579719875E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1578449945E-05 -7.7371434294E-07
  0.0000000000E+00 -7.7371434294E-07  1.9895496271E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.7109374401E-05 -7.7371434294E-07
  4.7109374401E-05  0.0000000000E+00  0.0000000000E+00
 -7.7371434294E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -7.7371434294E-07  4.1735924642E-05
 -7.7371434294E-07  0.0000000000E+00  0.0000000000E+00
  4.1735924642E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.7109374401E-05 -7.7371434294E-07
  4.7109374401E-05  0.0000000000E+00  0.0000000000E+00
 -7.7371434294E-07  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.1578449945E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2579719875E-04  7.7371434294E-07
  0.0000000000E+00  7.7371434294E-07  1.9895496271E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -7.7371434294E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.7371434294E-07  4.1735924642E-05
  0.0000000000E+00  4.1735924642E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -7.7371434294E-07  4.1735924642E-05
 -7.7371434294E-07  0.0000000000E+00  0.0000000000E+00
  4.1735924642E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -7.7371434294E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.7371434294E-07  4.1735924642E-05
  0.0000000000E+00  4.1735924642E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.9895496271E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9895496271E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0463118739E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0735346041E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0735346041E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4089299866E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  7.5478319248E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8947069967E-04 -4.6422860576E-06
  0.0000000000E+00 -4.6422860576E-06  1.1937297762E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.8265624641E-04 -4.6422860576E-06
  2.8265624641E-04  0.0000000000E+00  0.0000000000E+00
 -4.6422860576E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.6422860576E-06  2.5041554785E-04
 -4.6422860576E-06  0.0000000000E+00  0.0000000000E+00
  2.5041554785E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.8265624641E-04 -4.6422860576E-06
  2.8265624641E-04  0.0000000000E+00  0.0000000000E+00
 -4.6422860576E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.8947069967E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5478319248E-04  4.6422860576E-06
  0.0000000000E+00  4.6422860576E-06  1.1937297762E-04

 Crystal Tensor_qq(ke,je,3,2)
 -4.6422860576E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6422860576E-06  2.5041554785E-04
  0.0000000000E+00  2.5041554785E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.6422860576E-06  2.5041554785E-04
 -4.6422860576E-06  0.0000000000E+00  0.0000000000E+00
  2.5041554785E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.6422860576E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6422860576E-06  2.5041554785E-04
  0.0000000000E+00  2.5041554785E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.1937297762E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1937297762E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.2778712432E-04

 Convertion factor = 110.58152 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    18.000  2.07636E-01  2.07636E-01  2.07604E-01  1.74409E-01  1.41143E-01  1.74409E-01  1.85471E-01
   dip-dip  2.07353E-01  2.07353E-01  2.07353E-01  1.74123E-01  1.40893E-01  1.74123E-01  1.85200E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.82656E-04  2.82656E-04  2.50416E-04  2.85956E-04  2.50416E-04  2.85956E-04  2.70640E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.71800E-02 -1.28005E-17  2.51449E-02  1.87350E-17
   dip-dip -4.14705E-16  0.00000E+00 -3.40262E-16  0.00000E+00
   dip-qua -1.71800E-02 -1.28005E-17  2.51449E-02  1.87350E-17
   qua-qua -2.46882E-19  0.00000E+00 -9.50958E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  19.00000 eV

 Vmoy = -16.86170 eV, Vmftabs = -19.99295 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.814E-06  4.122E-09    2.005E-03 -4.548E-06    3.756E-04 -8.570E-07
  1  0    1  1     -4.581E-03  1.751E-04    1.168E-01 -4.465E-03    1.320E-02 -5.049E-04
  2  0    1  1      3.208E-04  1.085E-06   -1.338E-02 -4.512E-05   -2.559E-03 -8.598E-06
  3  0    1  1      1.747E-06 -3.737E-09   -9.620E-05  2.067E-07   -2.367E-05  5.113E-08
  4  0    1  1      2.501E-07 -1.031E-09   -1.692E-05  6.989E-08   -5.000E-06  2.070E-08
  5  0    1  1      7.036E-08 -4.256E-10   -5.620E-06  3.404E-08   -1.927E-06  1.169E-08

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 5

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.4450929284E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4450929284E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2643744531E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -2.9040519423E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9040519423E-04  7.0200928965E-05
  0.0000000000E+00  7.0200928965E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  2.9040519423E-04 -7.0200928965E-05
  2.9040519423E-04  0.0000000000E+00  0.0000000000E+00
 -7.0200928965E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2101223549E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4136267378E-05 -2.9282133517E-06
  0.0000000000E+00 -2.9282133517E-06  1.6642860476E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.8437984056E-05 -2.9282133517E-06
  4.8437984056E-05  0.0000000000E+00  0.0000000000E+00
 -2.9282133517E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -2.9282133517E-06  4.3642052766E-05
 -2.9282133517E-06  0.0000000000E+00  0.0000000000E+00
  4.3642052766E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.8437984056E-05 -2.9282133517E-06
  4.8437984056E-05  0.0000000000E+00  0.0000000000E+00
 -2.9282133517E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.4136267378E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2101223549E-04  2.9282133517E-06
  0.0000000000E+00  2.9282133517E-06  1.6642860476E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -2.9282133517E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9282133517E-06  4.3642052766E-05
  0.0000000000E+00  4.3642052766E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -2.9282133517E-06  4.3642052766E-05
 -2.9282133517E-06  0.0000000000E+00  0.0000000000E+00
  4.3642052766E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -2.9282133517E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9282133517E-06  4.3642052766E-05
  0.0000000000E+00  4.3642052766E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.6642860476E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6642860476E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0093355343E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0670557571E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0670557571E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3586246719E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  7.2607341294E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4481760427E-04 -1.7569280110E-05
  0.0000000000E+00 -1.7569280110E-05  9.9857162855E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.9062790434E-04 -1.7569280110E-05
  2.9062790434E-04  0.0000000000E+00  0.0000000000E+00
 -1.7569280110E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.7569280110E-05  2.6185231660E-04
 -1.7569280110E-05  0.0000000000E+00  0.0000000000E+00
  2.6185231660E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.9062790434E-04 -1.7569280110E-05
  2.9062790434E-04  0.0000000000E+00  0.0000000000E+00
 -1.7569280110E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.4481760427E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2607341294E-04  1.7569280110E-05
  0.0000000000E+00  1.7569280110E-05  9.9857162855E-05

 Crystal Tensor_qq(ke,je,3,2)
 -1.7569280110E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7569280110E-05  2.6185231660E-04
  0.0000000000E+00  2.6185231660E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.7569280110E-05  2.6185231660E-04
 -1.7569280110E-05  0.0000000000E+00  0.0000000000E+00
  2.6185231660E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.7569280110E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7569280110E-05  2.6185231660E-04
  0.0000000000E+00  2.6185231660E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  9.9857162855E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.9857162855E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0560132058E-04

 Convertion factor = 110.59583 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    19.000  2.06996E-01  2.06996E-01  2.06967E-01  1.71567E-01  1.36124E-01  1.71567E-01  1.83368E-01
   dip-dip  2.06706E-01  2.06706E-01  2.06706E-01  1.71284E-01  1.35862E-01  1.71284E-01  1.83091E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  2.90628E-04  2.90628E-04  2.61852E-04  2.82990E-04  2.61852E-04  2.82990E-04  2.77081E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -9.98240E-03 -7.43770E-18  1.76573E-02  1.31562E-17
   dip-dip -4.42109E-16  0.00000E+00 -3.62747E-16  0.00000E+00
   dip-qua -9.98240E-03 -7.43770E-18  1.76573E-02  1.31562E-17
   qua-qua -5.68859E-19  0.00000E+00 -2.50125E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  20.00000 eV

 Vmoy = -16.87875 eV, Vmftabs = -20.02177 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.772E-06  3.778E-09    1.959E-03 -4.168E-06    3.670E-04 -7.857E-07
  1  0    1  1     -3.251E-03  8.962E-05    8.285E-02 -2.285E-03    9.362E-03 -2.584E-04
  2  0    1  1      3.312E-04  1.167E-06   -1.381E-02 -4.853E-05   -2.642E-03 -9.249E-06
  3  0    1  1      1.708E-06 -3.370E-09   -9.408E-05  1.865E-07   -2.315E-05  4.614E-08
  4  0    1  1      2.396E-07 -9.352E-10   -1.621E-05  6.340E-08   -4.791E-06  1.879E-08
  5  0    1  1      6.610E-08 -3.821E-10   -5.279E-06  3.056E-08   -1.810E-06  1.050E-08

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 5

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.4246205535E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4246205535E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2624827221E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -2.6219815654E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6219815654E-04  1.4762910692E-05
  0.0000000000E+00  1.4762910692E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  2.6219815654E-04 -1.4762910692E-05
  2.6219815654E-04  0.0000000000E+00  0.0000000000E+00
 -1.4762910692E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.1837095670E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5768956911E-05 -4.9480662614E-06
  0.0000000000E+00 -4.9480662614E-06  1.3901001147E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.1300999895E-05 -4.9480662614E-06
  5.1300999895E-05  0.0000000000E+00  0.0000000000E+00
 -4.9480662614E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -4.9480662614E-06  4.7064211383E-05
 -4.9480662614E-06  0.0000000000E+00  0.0000000000E+00
  4.7064211383E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.1300999895E-05 -4.9480662614E-06
  5.1300999895E-05  0.0000000000E+00  0.0000000000E+00
 -4.9480662614E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.5768956911E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1837095670E-04  4.9480662614E-06
  0.0000000000E+00  4.9480662614E-06  1.3901001147E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.9480662614E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9480662614E-06  4.7064211383E-05
  0.0000000000E+00  4.7064211383E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -4.9480662614E-06  4.7064211383E-05
 -4.9480662614E-06  0.0000000000E+00  0.0000000000E+00
  4.7064211383E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.9480662614E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9480662614E-06  4.7064211383E-05
  0.0000000000E+00  4.7064211383E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.3901001147E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3901001147E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0054204083E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0547723321E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0547723321E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3574896332E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  7.1022574020E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.4613741466E-05 -2.9688397568E-05
  0.0000000000E+00 -2.9688397568E-05  8.3406006882E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.0780599937E-04 -2.9688397568E-05
  3.0780599937E-04  0.0000000000E+00  0.0000000000E+00
 -2.9688397568E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.9688397568E-05  2.8238526830E-04
 -2.9688397568E-05  0.0000000000E+00  0.0000000000E+00
  2.8238526830E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.0780599937E-04 -2.9688397568E-05
  3.0780599937E-04  0.0000000000E+00  0.0000000000E+00
 -2.9688397568E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  9.4613741466E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1022574020E-04  2.9688397568E-05
  0.0000000000E+00  2.9688397568E-05  8.3406006882E-05

 Crystal Tensor_qq(ke,je,3,2)
 -2.9688397568E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9688397568E-05  2.8238526830E-04
  0.0000000000E+00  2.8238526830E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.9688397568E-05  2.8238526830E-04
 -2.9688397568E-05  0.0000000000E+00  0.0000000000E+00
  2.8238526830E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.9688397568E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9688397568E-05  2.8238526830E-04
  0.0000000000E+00  2.8238526830E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  8.3406006882E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3406006882E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0325224498E-04

 Convertion factor = 110.61014 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    20.000  2.05785E-01  2.05785E-01  2.05760E-01  1.70900E-01  1.36031E-01  1.70900E-01  1.82526E-01
   dip-dip  2.05477E-01  2.05477E-01  2.05477E-01  1.70613E-01  1.35749E-01  1.70613E-01  1.82234E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.07806E-04  3.07806E-04  2.82385E-04  2.86666E-04  2.82385E-04  2.86666E-04  2.92001E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.52072E-03 -1.13306E-18  8.74435E-03  6.51526E-18
   dip-dip -4.35208E-16  0.00000E+00 -3.57084E-16  0.00000E+00
   dip-qua -1.52072E-03 -1.13306E-18  8.74435E-03  6.51526E-18
   qua-qua -8.70066E-19  0.00000E+00 -3.95122E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  21.00000 eV

 Vmoy = -16.88901 eV, Vmftabs = -20.05018 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.734E-06  3.474E-09    1.917E-03 -3.833E-06    3.592E-04 -7.228E-07
  1  0    1  1     -2.533E-03  5.521E-05    6.454E-02 -1.408E-03    7.293E-03 -1.592E-04
  2  0    1  1      3.432E-04  1.258E-06   -1.431E-02 -5.231E-05   -2.737E-03 -9.971E-06
  3  0    1  1      1.673E-06 -3.038E-09   -9.211E-05  1.681E-07   -2.267E-05  4.162E-08
  4  0    1  1      2.299E-07 -8.500E-10   -1.555E-05  5.763E-08   -4.597E-06  1.708E-08
  5  0    1  1      6.221E-08 -3.440E-10   -4.969E-06  2.751E-08   -1.704E-06  9.450E-09

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 5

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.3807405651E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3807405651E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3047728136E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -2.2897213773E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2897213773E-04 -3.9119999829E-05
  0.0000000000E+00 -3.9119999829E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  2.2897213773E-04  3.9119999829E-05
  2.2897213773E-04  0.0000000000E+00  0.0000000000E+00
  3.9119999829E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.1816590312E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5456351490E-06 -6.7589226430E-06
  0.0000000000E+00 -6.7589226430E-06  1.1794660232E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.5310133985E-05 -6.7589226430E-06
  5.5310133985E-05  0.0000000000E+00  0.0000000000E+00
 -6.7589226430E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -6.7589226430E-06  5.1858423452E-05
 -6.7589226430E-06  0.0000000000E+00  0.0000000000E+00
  5.1858423452E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.5310133985E-05 -6.7589226430E-06
  5.5310133985E-05  0.0000000000E+00  0.0000000000E+00
 -6.7589226430E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  7.5456351490E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1816590312E-04  6.7589226430E-06
  0.0000000000E+00  6.7589226430E-06  1.1794660232E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -6.7589226430E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.7589226430E-06  5.1858423452E-05
  0.0000000000E+00  5.1858423452E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -6.7589226430E-06  5.1858423452E-05
 -6.7589226430E-06  0.0000000000E+00  0.0000000000E+00
  5.1858423452E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -6.7589226430E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.7589226430E-06  5.1858423452E-05
  0.0000000000E+00  5.1858423452E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.1794660232E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1794660232E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0430068119E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0284443391E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0284443391E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3828636882E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  7.0899541871E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5273810894E-05 -4.0553535858E-05
  0.0000000000E+00 -4.0553535858E-05  7.0767961392E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.3186080391E-04 -4.0553535858E-05
  3.3186080391E-04  0.0000000000E+00  0.0000000000E+00
 -4.0553535858E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.0553535858E-05  3.1115054071E-04
 -4.0553535858E-05  0.0000000000E+00  0.0000000000E+00
  3.1115054071E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.3186080391E-04 -4.0553535858E-05
  3.3186080391E-04  0.0000000000E+00  0.0000000000E+00
 -4.0553535858E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  4.5273810894E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.0899541871E-04  4.0553535858E-05
  0.0000000000E+00  4.0553535858E-05  7.0767961392E-05

 Crystal Tensor_qq(ke,je,3,2)
 -4.0553535858E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0553535858E-05  3.1115054071E-04
  0.0000000000E+00  3.1115054071E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.0553535858E-05  3.1115054071E-04
 -4.0553535858E-05  0.0000000000E+00  0.0000000000E+00
  3.1115054071E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.0553535858E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0553535858E-05  3.1115054071E-04
  0.0000000000E+00  3.1115054071E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  7.0767961392E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.0767961392E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.2580408715E-04

 Convertion factor = 110.62445 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    21.000  2.03176E-01  2.03176E-01  2.03156E-01  1.70864E-01  1.38598E-01  1.70864E-01  1.81640E-01
   dip-dip  2.02844E-01  2.02844E-01  2.02844E-01  1.70565E-01  1.38286E-01  1.70565E-01  1.81325E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.31861E-04  3.31861E-04  3.11151E-04  2.98316E-04  3.11151E-04  2.98316E-04  3.14631E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  6.68899E-03  4.98384E-18 -6.61709E-05 -4.93027E-20
   dip-dip -4.02991E-16  0.00000E+00 -3.30650E-16  0.00000E+00
   dip-qua  6.68899E-03  4.98384E-18 -6.61709E-05 -4.93027E-20
   qua-qua -1.13352E-18  0.00000E+00 -5.23154E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  22.00000 eV

 Vmoy = -16.89181 eV, Vmftabs = -20.07822 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.700E-06  3.206E-09    1.880E-03 -3.536E-06    3.522E-04 -6.671E-07
  1  0    1  1     -2.085E-03  3.793E-05    5.314E-02 -9.671E-04    6.004E-03 -1.094E-04
  2  0    1  1      3.569E-04  1.361E-06   -1.488E-02 -5.657E-05   -2.847E-03 -1.079E-05
  3  0    1  1      1.639E-06 -2.736E-09   -9.026E-05  1.515E-07   -2.221E-05  3.752E-08
  4  0    1  1      2.209E-07 -7.740E-10   -1.494E-05  5.248E-08   -4.417E-06  1.556E-08
  5  0    1  1      5.865E-08 -3.104E-10   -4.683E-06  2.483E-08   -1.606E-06  8.529E-09

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 5

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.2758886628E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2758886628E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3662538290E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -1.9675731688E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9675731688E-04 -7.9587380586E-05
  0.0000000000E+00 -7.9587380586E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.9675731688E-04  7.9587380586E-05
  1.9675731688E-04  0.0000000000E+00  0.0000000000E+00
  7.9587380586E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2049094294E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1446983675E-07 -8.3249569945E-06
  0.0000000000E+00 -8.3249569945E-06  1.0256770490E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.0138236554E-05 -8.3249569945E-06
  6.0138236554E-05  0.0000000000E+00  0.0000000000E+00
 -8.3249569945E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -8.3249569945E-06  5.8025400305E-05
 -8.3249569945E-06  0.0000000000E+00  0.0000000000E+00
  5.8025400305E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.0138236554E-05 -8.3249569945E-06
  6.0138236554E-05  0.0000000000E+00  0.0000000000E+00
 -8.3249569945E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.1446983675E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2049094294E-04  8.3249569945E-06
  0.0000000000E+00  8.3249569945E-06  1.0256770490E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -8.3249569945E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3249569945E-06  5.8025400305E-05
  0.0000000000E+00  5.8025400305E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -8.3249569945E-06  5.8025400305E-05
 -8.3249569945E-06  0.0000000000E+00  0.0000000000E+00
  5.8025400305E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -8.3249569945E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3249569945E-06  5.8025400305E-05
  0.0000000000E+00  5.8025400305E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.0256770490E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0256770490E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1189661840E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.9655331977E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9655331977E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4197522974E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  7.2294565767E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2868190205E-06 -4.9949741967E-05
  0.0000000000E+00 -4.9949741967E-05  6.1540622943E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.6082941932E-04 -4.9949741967E-05
  3.6082941932E-04  0.0000000000E+00  0.0000000000E+00
 -4.9949741967E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.9949741967E-05  3.4815240183E-04
 -4.9949741967E-05  0.0000000000E+00  0.0000000000E+00
  3.4815240183E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.6082941932E-04 -4.9949741967E-05
  3.6082941932E-04  0.0000000000E+00  0.0000000000E+00
 -4.9949741967E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.2868190205E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2294565767E-04  4.9949741967E-05
  0.0000000000E+00  4.9949741967E-05  6.1540622943E-05

 Crystal Tensor_qq(ke,je,3,2)
 -4.9949741967E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9949741967E-05  3.4815240183E-04
  0.0000000000E+00  3.4815240183E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.9949741967E-05  3.4815240183E-04
 -4.9949741967E-05  0.0000000000E+00  0.0000000000E+00
  3.4815240183E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.9949741967E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9949741967E-05  3.4815240183E-04
  0.0000000000E+00  3.4815240183E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  6.1540622943E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1540622943E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7137971039E-04

 Convertion factor = 110.63876 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    22.000  1.96914E-01  1.96914E-01  1.96901E-01  1.69582E-01  1.42323E-01  1.69582E-01  1.78705E-01
   dip-dip  1.96553E-01  1.96553E-01  1.96553E-01  1.69264E-01  1.41975E-01  1.69264E-01  1.78361E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.60829E-04  3.60829E-04  3.48152E-04  3.17811E-04  3.48152E-04  3.17811E-04  3.44287E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.28356E-02  9.56357E-18 -6.86647E-03 -5.11608E-18
   dip-dip -3.40737E-16  0.00000E+00 -2.79571E-16  0.00000E+00
   dip-qua  1.28356E-02  9.56357E-18 -6.86647E-03 -5.11608E-18
   qua-qua -1.34610E-18  0.00000E+00 -6.29418E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  23.00000 eV

 Vmoy = -16.88781 eV, Vmftabs = -20.10588 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.669E-06  2.966E-09    1.845E-03 -3.271E-06    3.457E-04 -6.174E-07
  1  0    1  1     -1.779E-03  2.793E-05    4.532E-02 -7.121E-04    5.120E-03 -8.056E-05
  2  0    1  1      3.726E-04  1.477E-06   -1.553E-02 -6.141E-05   -2.972E-03 -1.171E-05
  3  0    1  1      1.608E-06 -2.461E-09   -8.852E-05  1.363E-07   -2.179E-05  3.379E-08
  4  0    1  1      2.125E-07 -7.058E-10   -1.437E-05  4.786E-08   -4.248E-06  1.419E-08
  5  0    1  1      5.537E-08 -2.808E-10   -4.421E-06  2.246E-08   -1.516E-06  7.717E-09

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 5

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.0887206866E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0887206866E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4422367316E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -1.6935946925E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6935946925E-04 -1.0058523526E-04
  0.0000000000E+00 -1.0058523526E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.6935946925E-04  1.0058523526E-04
  1.6935946925E-04  0.0000000000E+00  0.0000000000E+00
  1.0058523526E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2513090636E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.8957936849E-06 -9.6732753538E-06
  0.0000000000E+00 -9.6732753538E-06  9.0165448169E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.5513350021E-05 -9.6732753538E-06
  6.5513350021E-05  0.0000000000E+00  0.0000000000E+00
 -9.6732753538E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -9.6732753538E-06  6.5897791990E-05
 -9.6732753538E-06  0.0000000000E+00  0.0000000000E+00
  6.5897791990E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.5513350021E-05 -9.6732753538E-06
  6.5513350021E-05  0.0000000000E+00  0.0000000000E+00
 -9.6732753538E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -5.8957936849E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2513090636E-04  9.6732753538E-06
  0.0000000000E+00  9.6732753538E-06  9.0165448169E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -9.6732753538E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.6732753538E-06  6.5897791990E-05
  0.0000000000E+00  6.5897791990E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -9.6732753538E-06  6.5897791990E-05
 -9.6732753538E-06  0.0000000000E+00  0.0000000000E+00
  6.5897791990E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -9.6732753538E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.6732753538E-06  6.5897791990E-05
  0.0000000000E+00  6.5897791990E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  9.0165448169E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0165448169E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2212996934E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8532324120E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8532324120E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4653420390E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  7.5078543815E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5374762109E-05 -5.8039652123E-05
  0.0000000000E+00 -5.8039652123E-05  5.4099268901E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.9308010013E-04 -5.8039652123E-05
  3.9308010013E-04  0.0000000000E+00  0.0000000000E+00
 -5.8039652123E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -5.8039652123E-05  3.9538675194E-04
 -5.8039652123E-05  0.0000000000E+00  0.0000000000E+00
  3.9538675194E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.9308010013E-04 -5.8039652123E-05
  3.9308010013E-04  0.0000000000E+00  0.0000000000E+00
 -5.8039652123E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.5374762109E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5078543815E-04  5.8039652123E-05
  0.0000000000E+00  5.8039652123E-05  5.4099268901E-05

 Crystal Tensor_qq(ke,je,3,2)
 -5.8039652123E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8039652123E-05  3.9538675194E-04
  0.0000000000E+00  3.9538675194E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -5.8039652123E-05  3.9538675194E-04
 -5.8039652123E-05  0.0000000000E+00  0.0000000000E+00
  3.9538675194E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -5.8039652123E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8039652123E-05  3.9538675194E-04
  0.0000000000E+00  3.9538675194E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  5.4099268901E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4099268901E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.3277981602E-04

 Convertion factor = 110.65307 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    23.000  1.85716E-01  1.85716E-01  1.85719E-01  1.66273E-01  1.46930E-01  1.66273E-01  1.72774E-01
   dip-dip  1.85323E-01  1.85323E-01  1.85323E-01  1.65929E-01  1.46534E-01  1.65929E-01  1.72394E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  3.93080E-04  3.93080E-04  3.95387E-04  3.43842E-04  3.95387E-04  3.43842E-04  3.80873E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.59958E-02  1.19182E-17 -1.06637E-02 -7.94530E-18
   dip-dip -2.42195E-16  0.00000E+00 -1.98719E-16  0.00000E+00
   dip-qua  1.59958E-02  1.19182E-17 -1.06637E-02 -7.94530E-18
   qua-qua -1.49791E-18  0.00000E+00 -7.11730E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  24.00000 eV

 Vmoy = -16.87740 eV, Vmftabs = -20.13320 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.641E-06  2.751E-09    1.814E-03 -3.034E-06    3.399E-04 -5.728E-07
  1  0    1  1     -1.556E-03  2.159E-05    3.963E-02 -5.504E-04    4.477E-03 -6.227E-05
  2  0    1  1      3.907E-04  1.610E-06   -1.628E-02 -6.695E-05   -3.115E-03 -1.277E-05
  3  0    1  1      1.578E-06 -2.210E-09   -8.690E-05  1.225E-07   -2.139E-05  3.037E-08
  4  0    1  1      2.046E-07 -6.446E-10   -1.384E-05  4.371E-08   -4.090E-06  1.296E-08
  5  0    1  1      5.235E-08 -2.546E-10   -4.180E-06  2.036E-08   -1.433E-06  6.996E-09

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 5

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.8456238863E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8456238863E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5461311781E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -1.4447465266E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4447465266E-04 -1.0589167114E-04
  0.0000000000E+00 -1.0589167114E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.4447465266E-04  1.0589167114E-04
  1.4447465266E-04  0.0000000000E+00  0.0000000000E+00
  1.0589167114E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3143721528E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0886452429E-05 -1.0839831290E-05
  0.0000000000E+00 -1.0839831290E-05  7.8090129272E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.1161833855E-05 -1.0839831290E-05
  7.1161833855E-05  0.0000000000E+00  0.0000000000E+00
 -1.0839831290E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.0839831290E-05  7.6159906986E-05
 -1.0839831290E-05  0.0000000000E+00  0.0000000000E+00
  7.6159906986E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.1161833855E-05 -1.0839831290E-05
  7.1161833855E-05  0.0000000000E+00  0.0000000000E+00
 -1.0839831290E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.0886452429E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3143721528E-04  1.0839831290E-05
  0.0000000000E+00  1.0839831290E-05  7.8090129272E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.0839831290E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0839831290E-05  7.6159906986E-05
  0.0000000000E+00  7.6159906986E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.0839831290E-05  7.6159906986E-05
 -1.0839831290E-05  0.0000000000E+00  0.0000000000E+00
  7.6159906986E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.0839831290E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0839831290E-05  7.6159906986E-05
  0.0000000000E+00  7.6159906986E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  7.8090129272E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.8090129272E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3340359279E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.7073743318E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7073743318E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5276787068E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  7.8862329169E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.5318714575E-05 -6.5038987741E-05
  0.0000000000E+00 -6.5038987741E-05  4.6854077563E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.2697100313E-04 -6.5038987741E-05
  4.2697100313E-04  0.0000000000E+00  0.0000000000E+00
 -6.5038987741E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -6.5038987741E-05  4.5695944191E-04
 -6.5038987741E-05  0.0000000000E+00  0.0000000000E+00
  4.5695944191E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.2697100313E-04 -6.5038987741E-05
  4.2697100313E-04  0.0000000000E+00  0.0000000000E+00
 -6.5038987741E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.5318714575E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.8862329169E-04  6.5038987741E-05
  0.0000000000E+00  6.5038987741E-05  4.6854077563E-05

 Crystal Tensor_qq(ke,je,3,2)
 -6.5038987741E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.5038987741E-05  4.5695944191E-04
  0.0000000000E+00  4.5695944191E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -6.5038987741E-05  4.5695944191E-04
 -6.5038987741E-05  0.0000000000E+00  0.0000000000E+00
  4.5695944191E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -6.5038987741E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.5038987741E-05  4.5695944191E-04
  0.0000000000E+00  4.5695944191E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.6854077563E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6854077563E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.0042155675E-04

 Convertion factor = 110.66738 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    24.000  1.71164E-01  1.71164E-01  1.71194E-01  1.62126E-01  1.53225E-01  1.62126E-01  1.65172E-01
   dip-dip  1.70737E-01  1.70737E-01  1.70737E-01  1.61753E-01  1.52768E-01  1.61753E-01  1.64748E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.26971E-04  4.26971E-04  4.56959E-04  3.73834E-04  4.56959E-04  3.73834E-04  4.24797E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.67445E-02  1.24760E-17 -1.20740E-02 -8.99613E-18
   dip-dip -1.12215E-16  0.00000E+00 -9.20713E-17  0.00000E+00
   dip-qua  1.67445E-02  1.24760E-17 -1.20740E-02 -8.99613E-18
   qua-qua -1.57202E-18  0.00000E+00 -7.66004E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  25.00000 eV

 Vmoy = -16.86047 eV, Vmftabs = -20.16018 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.615E-06  2.557E-09    1.785E-03 -2.819E-06    3.345E-04 -5.325E-07
  1  0    1  1     -1.386E-03  1.730E-05    3.531E-02 -4.410E-04    3.988E-03 -4.990E-05
  2  0    1  1      4.115E-04  1.765E-06   -1.715E-02 -7.338E-05   -3.281E-03 -1.400E-05
  3  0    1  1      1.551E-06 -1.980E-09   -8.537E-05  1.098E-07   -2.101E-05  2.724E-08
  4  0    1  1      1.972E-07 -5.893E-10   -1.334E-05  3.996E-08   -3.942E-06  1.185E-08
  5  0    1  1      4.956E-08 -2.313E-10   -3.957E-06  1.850E-08   -1.357E-06  6.356E-09

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 5

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.5957476960E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5957476960E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6636818639E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -1.1776269469E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1776269469E-04 -1.0182731304E-04
  0.0000000000E+00 -1.0182731304E-04  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  1.1776269469E-04  1.0182731304E-04
  1.1776269469E-04  0.0000000000E+00  0.0000000000E+00
  1.0182731304E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3840746839E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4910290088E-05 -1.1707105842E-05
  0.0000000000E+00 -1.1707105842E-05  6.7021755325E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.6658879238E-05 -1.1707105842E-05
  7.6658879238E-05  0.0000000000E+00  0.0000000000E+00
 -1.1707105842E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.1707105842E-05  8.9595755766E-05
 -1.1707105842E-05  0.0000000000E+00  0.0000000000E+00
  8.9595755766E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.6658879238E-05 -1.1707105842E-05
  7.6658879238E-05  0.0000000000E+00  0.0000000000E+00
 -1.1707105842E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.4910290088E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3840746839E-04  1.1707105842E-05
  0.0000000000E+00  1.1707105842E-05  6.7021755325E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.1707105842E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1707105842E-05  8.9595755766E-05
  0.0000000000E+00  8.9595755766E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.1707105842E-05  8.9595755766E-05
 -1.1707105842E-05  0.0000000000E+00  0.0000000000E+00
  8.9595755766E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.1707105842E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1707105842E-05  8.9595755766E-05
  0.0000000000E+00  8.9595755766E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  6.7021755325E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.7021755325E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4419184832E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.5574486176E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5574486176E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5982091183E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.3044481032E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.9461740530E-05 -7.0242635049E-05
  0.0000000000E+00 -7.0242635049E-05  4.0213053195E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.5995327543E-04 -7.0242635049E-05
  4.5995327543E-04  0.0000000000E+00  0.0000000000E+00
 -7.0242635049E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.0242635049E-05  5.3757453459E-04
 -7.0242635049E-05  0.0000000000E+00  0.0000000000E+00
  5.3757453459E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.5995327543E-04 -7.0242635049E-05
  4.5995327543E-04  0.0000000000E+00  0.0000000000E+00
 -7.0242635049E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -8.9461740530E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3044481032E-04  7.0242635049E-05
  0.0000000000E+00  7.0242635049E-05  4.0213053195E-05

 Crystal Tensor_qq(ke,je,3,2)
 -7.0242635049E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.0242635049E-05  5.3757453459E-04
  0.0000000000E+00  5.3757453459E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.0242635049E-05  5.3757453459E-04
 -7.0242635049E-05  0.0000000000E+00  0.0000000000E+00
  5.3757453459E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.0242635049E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.0242635049E-05  5.3757453459E-04
  0.0000000000E+00  5.3757453459E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.0213053195E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0213053195E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.6515108994E-04

 Convertion factor = 110.68170 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    25.000  1.56205E-01  1.56205E-01  1.56282E-01  1.58187E-01  1.60358E-01  1.58187E-01  1.57580E-01
   dip-dip  1.55745E-01  1.55745E-01  1.55745E-01  1.57783E-01  1.59821E-01  1.57783E-01  1.57104E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.59953E-04  4.59953E-04  5.37575E-04  4.03792E-04  5.37575E-04  4.03792E-04  4.76026E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.60429E-02  1.19533E-17 -1.21419E-02 -9.04668E-18
   dip-dip  2.54571E-17  0.00000E+00  2.08873E-17  0.00000E+00
   dip-qua  1.60429E-02  1.19533E-17 -1.21419E-02 -9.04668E-18
   qua-qua -1.52158E-18  0.00000E+00 -7.74958E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  26.00000 eV

 Vmoy = -16.83724 eV, Vmftabs = -20.18683 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.591E-06  2.381E-09    1.759E-03 -2.625E-06    3.295E-04 -4.961E-07
  1  0    1  1     -1.253E-03  1.424E-05    3.190E-02 -3.631E-04    3.603E-03 -4.109E-05
  2  0    1  1      4.356E-04  1.946E-06   -1.815E-02 -8.092E-05   -3.473E-03 -1.544E-05
  3  0    1  1      1.525E-06 -1.768E-09   -8.393E-05  9.807E-08   -2.066E-05  2.436E-08
  4  0    1  1      1.903E-07 -5.394E-10   -1.287E-05  3.658E-08   -3.803E-06  1.085E-08
  5  0    1  1      4.698E-08 -2.105E-10   -3.750E-06  1.683E-08   -1.286E-06  5.785E-09

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 5

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3733678460E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3733678460E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6898217322E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -8.8234245135E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.8234245135E-05 -9.1123771689E-05
  0.0000000000E+00 -9.1123771689E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  8.8234245135E-05  9.1123771689E-05
  8.8234245135E-05  0.0000000000E+00  0.0000000000E+00
  9.1123771689E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4489190985E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7783138663E-05 -1.1931662471E-05
  0.0000000000E+00 -1.1931662471E-05  6.1636124104E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.1337524255E-05 -1.1931662471E-05
  8.1337524255E-05  0.0000000000E+00  0.0000000000E+00
 -1.1931662471E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.1931662471E-05  1.0670602338E-04
 -1.1931662471E-05  0.0000000000E+00  0.0000000000E+00
  1.0670602338E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.1337524255E-05 -1.1931662471E-05
  8.1337524255E-05  0.0000000000E+00  0.0000000000E+00
 -1.1931662471E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.7783138663E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4489190985E-04  1.1931662471E-05
  0.0000000000E+00  1.1931662471E-05  6.1636124104E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.1931662471E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1931662471E-05  1.0670602338E-04
  0.0000000000E+00  1.0670602338E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.1931662471E-05  1.0670602338E-04
 -1.1931662471E-05  0.0000000000E+00  0.0000000000E+00
  1.0670602338E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.1931662471E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1931662471E-05  1.0670602338E-04
  0.0000000000E+00  1.0670602338E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  6.1636124104E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1636124104E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5310537625E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.4240207076E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4240207076E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6138930393E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.6935145908E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0669883198E-04 -7.1589974824E-05
  0.0000000000E+00 -7.1589974824E-05  3.6981674463E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.8802514553E-04 -7.1589974824E-05
  4.8802514553E-04  0.0000000000E+00  0.0000000000E+00
 -7.1589974824E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.1589974824E-05  6.4023614030E-04
 -7.1589974824E-05  0.0000000000E+00  0.0000000000E+00
  6.4023614030E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.8802514553E-04 -7.1589974824E-05
  4.8802514553E-04  0.0000000000E+00  0.0000000000E+00
 -7.1589974824E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.0669883198E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.6935145908E-04  7.1589974824E-05
  0.0000000000E+00  7.1589974824E-05  3.6981674463E-05

 Crystal Tensor_qq(ke,je,3,2)
 -7.1589974824E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1589974824E-05  6.4023614030E-04
  0.0000000000E+00  6.4023614030E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.1589974824E-05  6.4023614030E-04
 -7.1589974824E-05  0.0000000000E+00  0.0000000000E+00
  6.4023614030E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.1589974824E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1589974824E-05  6.4023614030E-04
  0.0000000000E+00  6.4023614030E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.6981674463E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6981674463E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.1863225751E-04

 Convertion factor = 110.69601 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    26.000  1.42890E-01  1.42890E-01  1.43042E-01  1.52324E-01  1.62030E-01  1.52324E-01  1.49264E-01
   dip-dip  1.42402E-01  1.42402E-01  1.42402E-01  1.51896E-01  1.61389E-01  1.51896E-01  1.48731E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.88025E-04  4.88025E-04  6.40236E-04  4.28505E-04  6.40236E-04  4.28505E-04  5.33038E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.43091E-02  1.06614E-17 -1.12963E-02 -8.41664E-18
   dip-dip  1.18601E-16  0.00000E+00  9.73107E-17  0.00000E+00
   dip-qua  1.43091E-02  1.06614E-17 -1.12963E-02 -8.41664E-18
   qua-qua -1.26539E-18  0.00000E+00 -7.04826E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  27.00000 eV

 Vmoy = -16.80897 eV, Vmftabs = -20.20456 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.569E-06  2.221E-09    1.734E-03 -2.448E-06    3.250E-04 -4.629E-07
  1  0    1  1     -1.144E-03  1.196E-05    2.913E-02 -3.048E-04    3.290E-03 -3.450E-05
  2  0    1  1      4.628E-04  2.154E-06   -1.928E-02 -8.956E-05   -3.689E-03 -1.709E-05
  3  0    1  1      1.501E-06 -1.575E-09   -8.263E-05  8.744E-08   -2.034E-05  2.174E-08
  4  0    1  1      1.839E-07 -4.947E-10   -1.244E-05  3.355E-08   -3.676E-06  9.957E-09
  5  0    1  1      4.464E-08 -1.921E-10   -3.563E-06  1.537E-08   -1.222E-06  5.282E-09

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 5

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1934077387E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1934077387E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5250641736E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -5.8284471288E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8284471288E-05 -7.4905186470E-05
  0.0000000000E+00 -7.4905186470E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  5.8284471288E-05  7.4905186470E-05
  5.8284471288E-05  0.0000000000E+00  0.0000000000E+00
  7.4905186470E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4985146818E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9003195594E-05 -1.1098087106E-05
  0.0000000000E+00 -1.1098087106E-05  6.8151668232E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.4427331887E-05 -1.1098087106E-05
  8.4427331887E-05  0.0000000000E+00  0.0000000000E+00
 -1.1098087106E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -1.1098087106E-05  1.2695968774E-04
 -1.1098087106E-05  0.0000000000E+00  0.0000000000E+00
  1.2695968774E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.4427331887E-05 -1.1098087106E-05
  8.4427331887E-05  0.0000000000E+00  0.0000000000E+00
 -1.1098087106E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.9003195594E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4985146818E-04  1.1098087106E-05
  0.0000000000E+00  1.1098087106E-05  6.8151668232E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.1098087106E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1098087106E-05  1.2695968774E-04
  0.0000000000E+00  1.2695968774E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -1.1098087106E-05  1.2695968774E-04
 -1.1098087106E-05  0.0000000000E+00  0.0000000000E+00
  1.2695968774E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.1098087106E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1098087106E-05  1.2695968774E-04
  0.0000000000E+00  1.2695968774E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  6.8151668232E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8151668232E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5862765798E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3160446432E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3160446432E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5150385042E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  8.9910880909E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1401917356E-04 -6.6588522636E-05
  0.0000000000E+00 -6.6588522636E-05  4.0891000939E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.0656399132E-04 -6.6588522636E-05
  5.0656399132E-04  0.0000000000E+00  0.0000000000E+00
 -6.6588522636E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -6.6588522636E-05  7.6175812643E-04
 -6.6588522636E-05  0.0000000000E+00  0.0000000000E+00
  7.6175812643E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.0656399132E-04 -6.6588522636E-05
  5.0656399132E-04  0.0000000000E+00  0.0000000000E+00
 -6.6588522636E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.1401917356E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9910880909E-04  6.6588522636E-05
  0.0000000000E+00  6.6588522636E-05  4.0891000939E-05

 Crystal Tensor_qq(ke,je,3,2)
 -6.6588522636E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6588522636E-05  7.6175812643E-04
  0.0000000000E+00  7.6175812643E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -6.6588522636E-05  7.6175812643E-04
 -6.6588522636E-05  0.0000000000E+00  0.0000000000E+00
  7.6175812643E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -6.6588522636E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6588522636E-05  7.6175812643E-04
  0.0000000000E+00  7.6175812643E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.0891000939E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0891000939E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.5176594786E-04

 Convertion factor = 110.71032 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    27.000  1.32111E-01  1.32111E-01  1.32366E-01  1.41996E-01  1.52266E-01  1.41996E-01  1.38829E-01
   dip-dip  1.31604E-01  1.31604E-01  1.31604E-01  1.41554E-01  1.51504E-01  1.41554E-01  1.38238E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  5.06564E-04  5.06564E-04  7.61758E-04  4.42273E-04  7.61758E-04  4.42273E-04  5.91497E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.17228E-02  8.73442E-18 -9.64354E-03 -7.18522E-18
   dip-dip  1.24314E-16  0.00000E+00  1.01999E-16  0.00000E+00
   dip-qua  1.17228E-02  8.73442E-18 -9.64354E-03 -7.18522E-18
   qua-qua -7.32691E-19  0.00000E+00 -5.22959E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  28.00000 eV

 Vmoy = -16.77457 eV, Vmftabs = -20.21171 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.549E-06  2.075E-09    1.712E-03 -2.287E-06    3.208E-04 -4.326E-07
  1  0    1  1     -1.054E-03  1.020E-05    2.683E-02 -2.601E-04    3.030E-03 -2.944E-05
  2  0    1  1      4.937E-04  2.395E-06   -2.057E-02 -9.959E-05   -3.935E-03 -1.900E-05
  3  0    1  1      1.480E-06 -1.399E-09   -8.144E-05  7.774E-08   -2.004E-05  1.935E-08
  4  0    1  1      1.781E-07 -4.548E-10   -1.204E-05  3.085E-08   -3.560E-06  9.155E-09
  5  0    1  1      4.252E-08 -1.759E-10   -3.394E-06  1.407E-08   -1.164E-06  4.837E-09

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 5

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.0605006374E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0605006374E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2539615872E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -3.0838846852E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0838846852E-05 -5.5945565501E-05
  0.0000000000E+00 -5.5945565501E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  3.0838846852E-05  5.5945565501E-05
  3.0838846852E-05  0.0000000000E+00  0.0000000000E+00
  5.5945565501E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5278967720E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8114811126E-05 -9.0494956230E-06
  0.0000000000E+00 -9.0494956230E-06  8.9215303111E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.5452244164E-05 -9.0494956230E-06
  8.5452244164E-05  0.0000000000E+00  0.0000000000E+00
 -9.0494956230E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -9.0494956230E-06  1.4730294542E-04
 -9.0494956230E-06  0.0000000000E+00  0.0000000000E+00
  1.4730294542E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.5452244164E-05 -9.0494956230E-06
  8.5452244164E-05  0.0000000000E+00  0.0000000000E+00
 -9.0494956230E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.8114811126E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5278967720E-04  9.0494956230E-06
  0.0000000000E+00  9.0494956230E-06  8.9215303111E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -9.0494956230E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0494956230E-06  1.4730294542E-04
  0.0000000000E+00  1.4730294542E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -9.0494956230E-06  1.4730294542E-04
 -9.0494956230E-06  0.0000000000E+00  0.0000000000E+00
  1.4730294542E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -9.0494956230E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0494956230E-06  1.4730294542E-04
  0.0000000000E+00  1.4730294542E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  8.9215303111E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9215303111E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5966057102E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2363003824E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2363003824E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3523769523E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.1673806322E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0868886675E-04 -5.4296973738E-05
  0.0000000000E+00 -5.4296973738E-05  5.3529181867E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.1271346499E-04 -5.4296973738E-05
  5.1271346499E-04  0.0000000000E+00  0.0000000000E+00
 -5.4296973738E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -5.4296973738E-05  8.8381767250E-04
 -5.4296973738E-05  0.0000000000E+00  0.0000000000E+00
  8.8381767250E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.1271346499E-04 -5.4296973738E-05
  5.1271346499E-04  0.0000000000E+00  0.0000000000E+00
 -5.4296973738E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.0868886675E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1673806322E-04  5.4296973738E-05
  0.0000000000E+00  5.4296973738E-05  5.3529181867E-05

 Crystal Tensor_qq(ke,je,3,2)
 -5.4296973738E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4296973738E-05  8.8381767250E-04
  0.0000000000E+00  8.8381767250E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -5.4296973738E-05  8.8381767250E-04
 -5.4296973738E-05  0.0000000000E+00  0.0000000000E+00
  8.8381767250E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -5.4296973738E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4296973738E-05  8.8381767250E-04
  0.0000000000E+00  8.8381767250E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  5.3529181867E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3529181867E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.5796342615E-04

 Convertion factor = 110.72463 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    28.000  1.24143E-01  1.24143E-01  1.24514E-01  1.29876E-01  1.36122E-01  1.29876E-01  1.28142E-01
   dip-dip  1.23630E-01  1.23630E-01  1.23630E-01  1.29434E-01  1.35238E-01  1.29434E-01  1.27499E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  5.12713E-04  5.12713E-04  8.83818E-04  4.41911E-04  8.83818E-04  4.41911E-04  6.42274E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  8.72012E-03  6.49721E-18 -7.52135E-03 -5.60402E-18
   dip-dip  7.25241E-17  0.00000E+00  5.95053E-17  0.00000E+00
   dip-qua  8.72012E-03  6.49721E-18 -7.52135E-03 -5.60402E-18
   qua-qua  4.07912E-20  0.00000E+00 -2.35599E-19  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  29.00000 eV

 Vmoy = -16.73477 eV, Vmftabs = -20.21879 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.530E-06  1.941E-09    1.691E-03 -2.138E-06    3.169E-04 -4.047E-07
  1  0    1  1     -9.781E-04  8.824E-06    2.490E-02 -2.250E-04    2.812E-03 -2.546E-05
  2  0    1  1      5.295E-04  2.682E-06   -2.206E-02 -1.115E-04   -4.220E-03 -2.127E-05
  3  0    1  1      1.460E-06 -1.236E-09   -8.034E-05  6.878E-08   -1.977E-05  1.715E-08
  4  0    1  1      1.727E-07 -4.184E-10   -1.167E-05  2.838E-08   -3.451E-06  8.426E-09
  5  0    1  1      4.056E-08 -1.614E-10   -3.237E-06  1.291E-08   -1.110E-06  4.438E-09

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 5

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.9725348892E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9725348892E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9930637707E-02

 Tensor_dq(1,ks,j2), prototypical atom
 -8.0262239051E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0262239051E-06 -3.7044080151E-05
  0.0000000000E+00 -3.7044080151E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00  8.0262239051E-06  3.7044080151E-05
  8.0262239051E-06  0.0000000000E+00  0.0000000000E+00
  3.7044080151E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5393633543E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5016081216E-05 -6.1298992567E-06
  0.0000000000E+00 -6.1298992567E-06  1.2091929855E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.4476208325E-05 -6.1298992567E-06
  8.4476208325E-05  0.0000000000E+00  0.0000000000E+00
 -6.1298992567E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -6.1298992567E-06  1.6035046688E-04
 -6.1298992567E-06  0.0000000000E+00  0.0000000000E+00
  1.6035046688E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.4476208325E-05 -6.1298992567E-06
  8.4476208325E-05  0.0000000000E+00  0.0000000000E+00
 -6.1298992567E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.5016081216E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5393633543E-04  6.1298992567E-06
  0.0000000000E+00  6.1298992567E-06  1.2091929855E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -6.1298992567E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1298992567E-06  1.6035046688E-04
  0.0000000000E+00  1.6035046688E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -6.1298992567E-06  1.6035046688E-04
 -6.1298992567E-06  0.0000000000E+00  0.0000000000E+00
  1.6035046688E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -6.1298992567E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1298992567E-06  1.6035046688E-04
  0.0000000000E+00  1.6035046688E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.2091929855E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2091929855E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5663364804E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.1835209335E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1835209335E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1958382624E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.2361801261E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.0096487294E-05 -3.6779395540E-05
  0.0000000000E+00 -3.6779395540E-05  7.2551579132E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.0685724995E-04 -3.6779395540E-05
  5.0685724995E-04  0.0000000000E+00  0.0000000000E+00
 -3.6779395540E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.6779395540E-05  9.6210280126E-04
 -3.6779395540E-05  0.0000000000E+00  0.0000000000E+00
  9.6210280126E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.0685724995E-04 -3.6779395540E-05
  5.0685724995E-04  0.0000000000E+00  0.0000000000E+00
 -3.6779395540E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -9.0096487294E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2361801261E-04  3.6779395540E-05
  0.0000000000E+00  3.6779395540E-05  7.2551579132E-05

 Crystal Tensor_qq(ke,je,3,2)
 -3.6779395540E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6779395540E-05  9.6210280126E-04
  0.0000000000E+00  9.6210280126E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.6779395540E-05  9.6210280126E-04
 -3.6779395540E-05  0.0000000000E+00  0.0000000000E+00
  9.6210280126E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.6779395540E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6779395540E-05  9.6210280126E-04
  0.0000000000E+00  9.6210280126E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  7.2551579132E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2551579132E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.3980188827E-04

 Convertion factor = 110.73894 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    29.000  1.18859E-01  1.18859E-01  1.19314E-01  1.19398E-01  1.20546E-01  1.19398E-01  1.19431E-01
   dip-dip  1.18352E-01  1.18352E-01  1.18352E-01  1.18968E-01  1.19584E-01  1.18968E-01  1.18763E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  5.06857E-04  5.06857E-04  9.62103E-04  4.29579E-04  9.62103E-04  4.29579E-04  6.68348E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  5.73903E-03  4.27604E-18 -5.29122E-03 -3.94239E-18
   dip-dip  7.69680E-18  0.00000E+00  6.31515E-18  0.00000E+00
   dip-qua  5.73903E-03  4.27604E-18 -5.29122E-03 -3.94239E-18
   qua-qua  8.26631E-19  0.00000E+00  7.96469E-20  0.00000E+00

 ---- Potex ------------------------------------------------------------------------------------------------------------

 Energ =  30.00000 eV

 Vmoy = -16.69074 eV, Vmftabs = -20.22578 eV

 ---- Sphere -----------------------------------------------------------------------------------------------------------

 iapr =  0, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.513E-06  1.817E-09    1.672E-03 -2.001E-06    3.133E-04 -3.790E-07
  1  0    1  1     -9.133E-04  7.717E-06    2.325E-02 -1.967E-04    2.625E-03 -2.227E-05
  2  0    1  1      5.712E-04  3.025E-06   -2.379E-02 -1.258E-04   -4.552E-03 -2.400E-05
  3  0    1  1      1.442E-06 -1.086E-09   -7.932E-05  6.046E-08   -1.952E-05  1.510E-08
  4  0    1  1      1.676E-07 -3.852E-10   -1.133E-05  2.614E-08   -3.349E-06  7.761E-09
  5  0    1  1      3.874E-08 -1.483E-10   -3.092E-06  1.186E-08   -1.060E-06  4.078E-09

 iapr =  1, Z = 27, lmax = 5

 iapr =  2, Z = 27, lmax = 5

 iapr =  3, Z = 20, lmax = 5

 iapr =  4, Z =  8, lmax = 4

 ---- Coabs ------------------------------------------------------------------------------------------------------------

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.9218737348E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9218737348E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7812693299E-02

 Tensor_dq(1,ks,j2), prototypical atom
  9.0572516021E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.0572516021E-06 -1.7718402599E-05
  0.0000000000E+00 -1.7718402599E-05  0.0000000000E+00

 Tensor_dq(2,ks,j2), prototypical atom
  0.0000000000E+00 -9.0572516021E-06  1.7718402599E-05
 -9.0572516021E-06  0.0000000000E+00  0.0000000000E+00
  1.7718402599E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_dq(3,ks,j2), prototypical atom
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5392305885E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.9763501769E-06 -3.1995895016E-06
  0.0000000000E+00 -3.1995895016E-06  1.5616959346E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.1949704512E-05 -3.1995895016E-06
  8.1949704512E-05  0.0000000000E+00  0.0000000000E+00
 -3.1995895016E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  0.0000000000E+00 -3.1995895016E-06  1.5705280093E-04
 -3.1995895016E-06  0.0000000000E+00  0.0000000000E+00
  1.5705280093E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.1949704512E-05 -3.1995895016E-06
  8.1949704512E-05  0.0000000000E+00  0.0000000000E+00
 -3.1995895016E-06  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -9.9763501769E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5392305885E-04  3.1995895016E-06
  0.0000000000E+00  3.1995895016E-06  1.5616959346E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -3.1995895016E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1995895016E-06  1.5705280093E-04
  0.0000000000E+00  1.5705280093E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  0.0000000000E+00 -3.1995895016E-06  1.5705280093E-04
 -3.1995895016E-06  0.0000000000E+00  0.0000000000E+00
  1.5705280093E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -3.1995895016E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1995895016E-06  1.5705280093E-04
  0.0000000000E+00  1.5705280093E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.5616959346E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5616959346E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5140255277E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.1531242409E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1531242409E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0687615980E-01

 Crystal Tensor_dq(1,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(2,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_dq(3,ks,j2)
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,1)
  9.2353835308E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.9858101062E-05 -1.9197537009E-05
  0.0000000000E+00 -1.9197537009E-05  9.3701756073E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.9169822707E-04 -1.9197537009E-05
  4.9169822707E-04  0.0000000000E+00  0.0000000000E+00
 -1.9197537009E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.9197537009E-05  9.4231680558E-04
 -1.9197537009E-05  0.0000000000E+00  0.0000000000E+00
  9.4231680558E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.9169822707E-04 -1.9197537009E-05
  4.9169822707E-04  0.0000000000E+00  0.0000000000E+00
 -1.9197537009E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.9858101062E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2353835308E-04  1.9197537009E-05
  0.0000000000E+00  1.9197537009E-05  9.3701756073E-05

 Crystal Tensor_qq(ke,je,3,2)
 -1.9197537009E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9197537009E-05  9.4231680558E-04
  0.0000000000E+00  9.4231680558E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.9197537009E-05  9.4231680558E-04
 -1.9197537009E-05  0.0000000000E+00  0.0000000000E+00
  9.4231680558E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.9197537009E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9197537009E-05  9.4231680558E-04
  0.0000000000E+00  9.4231680558E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  9.3701756073E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.3701756073E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.0841531662E-04

 Convertion factor = 110.75325 (numb. of electron/Mbarn)

   Total signal

    Energy  (100,120)    (110,1-30)   (120,001)    (122,12-2)   (001,100)    (101,-101)    <xanes>   
    30.000  1.15804E-01  1.15804E-01  1.16255E-01  1.11505E-01  1.07818E-01  1.11505E-01  1.13151E-01
   dip-dip  1.15312E-01  1.15312E-01  1.15312E-01  1.11094E-01  1.06876E-01  1.11094E-01  1.12500E-01
   dip-qua  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00  0.00000E+00
   qua-qua  4.91698E-04  4.91698E-04  9.42317E-04  4.11138E-04  9.42317E-04  4.11138E-04  6.50463E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.70820E-03  2.01783E-18 -2.85413E-03 -2.12656E-18
   dip-dip -5.27230E-17  0.00000E+00 -4.32587E-17  0.00000E+00
   dip-qua  2.70820E-03  2.01783E-18 -2.85413E-03 -2.12656E-18
   qua-qua  1.26734E-18  0.00000E+00  2.92346E-19  0.00000E+00

------------------------------------------------------------------------------------------------------------------------

 Subroutine time (sCPU)
    Lectur =      0.281    Reseau =      0.172    Potent =      0.047
    Ylm    =      0.000    Potex  =      0.109    Sphere =      1.688
    Mat    =     54.266    Tensor =      0.047    Coabs  =      0.641
    Rempli =     52.047    Triang =      2.328
    Total  =     59.375
