   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 =  2

  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 =  15
 Potential sup calculation: cluster radius = 6.00 A, nb. of atom =  71

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

 Index of the absorbing atom, iaabs =  1

 Point group : -3       (S6   )

 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 :  0 0 0
                                         i :  1
                             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 1 1
              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 25 56 55
       1  1  1  1  1  1                                                                                                                              
       1  j j2  1  j j2                                                                                                                              
       1  1  1 -1 -1 -1                                                                                                                              
       1  j j2 -1 -j  k                                                                                                                              

 Symmetry code      Character code
    1        E     j = exp(2.i.pi/3)
   49      C3z     k = exp(2.i.pi/6)
   50     -C3z
   25        i
   56     -S6z
   55      S6z

 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     7   1   2  0.00000
   8  -0.584888  -1.386575   1.179765   !    1.912205   2    33   3   4  0.00000
   8  -0.908365   1.199815   1.179765   !    1.912205   3    32   3   4  0.00000
   8   0.908365  -1.199815  -1.179765   !    1.912205   4    38   3   4  0.00000
   8   0.584888   1.386575  -1.179765   !    1.912205   5    39   3   4  0.00000
   8  -1.493253  -0.186760  -1.179765   !    1.912205   6    37   3   4  0.00000
   8   1.493253   0.186760   1.179765   !    1.912205   7    31   3   4  0.00000
  27   0.000000   0.000000  -2.591750   !    2.591750   8     2   1   1  0.00000
  27   0.000000   0.000000   2.591750   !    2.591750   9     1   1   1  0.00000
  20   2.858745   0.279878  -0.863917   !    2.999518  10    26   2   3  0.00000
  20  -2.858746  -0.279878   0.863917   !    2.999518  11    23   2   3  0.00000
  20  -1.186991  -2.615685  -0.863917   !    2.999518  12    25   2   3  0.00000
  20   1.671755  -2.335807   0.863917   !    2.999518  13    24   2   3  0.00000
  20   1.186991   2.615685   0.863917   !    2.999518  14    22   2   3  0.00000
  20  -1.671754   2.335807  -0.863917   !    2.999518  15    27   2   3  0.00000
   8   3.037247   2.802445  -0.548069   !    4.168807  16    52   3   4  0.00000
   8   3.945612  -1.229111   0.548069   !    4.168807  17    60   3   4  0.00000
   8  -3.037247  -2.802445   0.548069   !    4.168807  18    58   3   4  0.00000
   8   0.908365  -4.031556  -0.548069   !    4.168807  19    53   3   4  0.00000
   8  -3.945612   1.229111  -0.548069   !    4.168807  20    54   3   4  0.00000
   8  -0.908365   4.031556   0.548069   !    4.168807  21    59   3   4  0.00000
  20  -1.671755  -2.895564   2.591750   !    4.230392  22    15   2   3  0.00000
  20   3.343509   0.000000   2.591750   !    4.230392  23    13   2   3  0.00000
  20  -1.671754   2.895564   2.591750   !    4.230392  24    14   2   3  0.00000
  20   1.671754  -2.895564  -2.591750   !    4.230392  25    17   2   3  0.00000
  20  -3.343509   0.000000  -2.591750   !    4.230392  26    16   2   3  0.00000
  20   1.671755   2.895564  -2.591750   !    4.230392  27    18   2   3  0.00000
   8  -1.493253   0.186760  -4.003735   !    4.277216  28    40   3   4  0.00000
   8   0.908365   1.199815  -4.003735   !    4.277216  29    41   3   4  0.00000
   8  -0.908365  -1.199815   4.003735   !    4.277216  30    35   3   4  0.00000
   8   0.584888  -1.386575  -4.003735   !    4.277216  31    42   3   4  0.00000
   8  -0.584888   1.386575   4.003735   !    4.277216  32    36   3   4  0.00000
   8   1.493253  -0.186760   4.003735   !    4.277216  33    34   3   4  0.00000
   8  -3.622135   1.415871   2.275902   !    4.506027  34    50   3   4  0.00000
   8  -0.584888   3.844796  -2.275902   !    4.506027  35    57   3   4  0.00000
   8  -3.037247  -2.428925  -2.275902   !    4.506027  36    55   3   4  0.00000
   8   0.584888  -3.844796   2.275902   !    4.506027  37    51   3   4  0.00000
   8   3.037247   2.428925   2.275902   !    4.506027  38    49   3   4  0.00000
   8   3.622135  -1.415871  -2.275902   !    4.506027  39    56   3   4  0.00000
   8  -3.037247   2.428925  -2.907598   !    4.855788  40    46   3   4  0.00000
   8   3.037247  -2.428925   2.907598   !    4.855788  41    64   3   4  0.00000
   8  -3.622135  -1.415871   2.907598   !    4.855788  42    65   3   4  0.00000
   8   3.622135   1.415871  -2.907598   !    4.855788  43    47   3   4  0.00000
   8  -0.584888  -3.844796  -2.907598   !    4.855788  44    48   3   4  0.00000
   8   0.584888   3.844796   2.907598   !    4.855788  45    66   3   4  0.00000
  27   0.000000   0.000000  -5.183500   !    5.183500  46     8   1   2  0.00000
  27   0.000000   0.000000   5.183500   !    5.183500  47     8   1   2  0.00000
  20   1.671755   2.335807   4.319583   !    5.187442  48    29   2   3  0.00000
  20   2.858746  -0.279878  -4.319583   !    5.187442  49    21   2   3  0.00000
  20  -1.671755  -2.335807  -4.319583   !    5.187442  50    20   2   3  0.00000
  20  -1.186991   2.615685  -4.319583   !    5.187442  51    19   2   3  0.00000
  20   1.186991  -2.615685   4.319583   !    5.187442  52    28   2   3  0.00000
  20  -2.858746   0.279878   4.319583   !    5.187442  53    30   2   3  0.00000
   8  -5.115388  -1.229111   0.548069   !    5.289450  54    60   3   4  0.00000
   8   5.115388   1.229111  -0.548069   !    5.289450  55    54   3   4  0.00000
   8   3.622135  -3.815500   0.548069   !    5.289450  56    59   3   4  0.00000
   8   1.493253   5.044611   0.548069   !    5.289450  57    58   3   4  0.00000
   8  -1.493253  -5.044611  -0.548069   !    5.289450  58    52   3   4  0.00000
   8  -3.622135   3.815500  -0.548069   !    5.289450  59    53   3   4  0.00000
  27   4.530500  -2.615685  -0.863917   !    5.302225  60     5   1   1  0.00000
  27   0.000000  -5.231371   0.863917   !    5.302225  61     4   1   1  0.00000
  27  -4.530500  -2.615685  -0.863917   !    5.302225  62     5   1   1  0.00000
  27   0.000000   5.231371  -0.863917   !    5.302225  63     5   1   1  0.00000
  27  -4.530500   2.615685   0.863917   !    5.302225  64     4   1   1  0.00000
  27   4.530500   2.615685   0.863917   !    5.302225  65     4   1   1  0.00000
  27  -4.530500   2.615685  -1.727833   !    5.509324  66    10   1   2  0.00000
  27   0.000000   5.231371   1.727833   !    5.509324  67    12   1   2  0.00000
  27   4.530500  -2.615685   1.727833   !    5.509324  68    12   1   2  0.00000
  27   4.530500   2.615685  -1.727833   !    5.509324  69    10   1   2  0.00000
  27  -4.530500  -2.615685   1.727833   !    5.509324  70    12   1   2  0.00000
  27   0.000000  -5.231371  -1.727833   !    5.509324  71    10   1   2  0.00000

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

 ia ib Za Zb   Angle(a,O,b)
  2  3  8  8       85.930
  2  4  8  8       94.070
  2  5  8  8      180.000
  2  6  8  8       94.070
  2  7  8  8       85.930
  3  4  8  8      180.000
  3  5  8  8       94.070
  3  6  8  8       94.070
  3  7  8  8       85.930
  4  5  8  8       85.930
  4  6  8  8       85.930
  4  7  8  8       94.070
  5  6  8  8       85.930
  5  7  8  8       94.070
  6  7  8  8      180.000

 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)
     0  0  0     0  0  0     0  0  0
     0  0  0     0  0  0     0  0  0
     0  0  0     0  0  0     0  0  0

  Quadrupole-quadrupole matrix shape :


    (1,1,k,l)   (1,2,k,l)   (1,3,k,l)
     1  2  3     2  7  8     3  8 12
     2  4  5     7  9 10     8 13 14
     3  5  6     8 10 11    12 14 15

    (2,1,k,l)   (2,2,k,l)   (2,3,k,l)
     2  7  8     4  9 13     5 10 14
     7  9 10     9 16 17    10 17 19
     8 10 11    13 17 18    14 19 20

    (3,1,k,l)   (3,2,k,l)   (3,3,k,l)
     3  8 12     5 10 14     6 11 15
     8 13 14    10 17 19    11 18 20
    12 14 15    14 19 20    15 20 21

 ldip = ( 0 1 1)

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

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

  Rsort =    4.183 A
  nx = 23
  natome =   4, igrpt =  17, Cluster_comp = T, Cluster_mag = F

 ia   Z  it  igr ipr iap     posx      posy      posz   igrpt PtGrName  Atom_comp  Atom_mag
  1  27   1    7   2   1   0.00000   0.00000   0.00000   17      -3        T         F
  2   8   3   31   4   7   1.49325   0.18676   1.17976    1      1         T         F
  3  27   1    1   1   9   0.00000   0.00000   2.59175   16      3         T         F
  4  20   2   22   3  14   1.18699   2.61569   0.86392    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  ia_eq  is_eq
   1      1  1
   2      7  1   2 50   3 49   4 56   5 55   6 25
   3      9  1   8 25
   4     14  1  10 56  11 49  12 25  13 50  15 55

 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    2  0

     is  Symmetry    Character
      1        E   1.000  0.000
     25        i   1.000  0.000
     49      C3z   1.000  0.000
     50     -C3z   1.000  0.000
     55      S6z   1.000  0.000
     56     -S6z   1.000  0.000

 Useful representation number  2 :

   Number of the corresponding representation : 3

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

     is  Symmetry    Character
      1        E   1.000  0.000
     25        i  -1.000  0.000
     49      C3z   1.000  0.000
     50     -C3z   1.000  0.000
     55      S6z  -1.000  0.000
     56     -S6z  -1.000  0.000

 Useful representation number  3 :

   Number of the corresponding representation : 4

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

     is  Symmetry    Character
      1        E   1.000  0.000
     25        i  -1.000  0.000
     49      C3z  -0.500  0.866
     50     -C3z  -0.500 -0.866
     55      S6z   0.500  0.866
     56     -S6z   0.500 -0.866

 Useful representation number  4 :

   Number of the corresponding representation : 2

   Orbital belonging to the representation :
    2 -2    2  1

     is  Symmetry    Character
      1        E   1.000  0.000
     25        i   1.000  0.000
     49      C3z  -0.500  0.866
     50     -C3z  -0.500 -0.866
     55      S6z  -0.500 -0.866
     56     -S6z  -0.500  0.866

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

 npr =   287, npoint =   371, npso =   371
 natome =   4

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

 Vrop =    -23.540 eV

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

 ipr    Rn     Rnorm     Dab     Rdem     Rayop     Rv0     Rmtsd     Rmtg    nrmtg
  1  1.14276  1.34960  2.06359  1.03179  1.05174  1.30566  1.05174  1.05174    476
  2  1.02671  1.26092  1.91220  0.95610  1.23454  1.35492  1.23454  1.23454    484
  3  1.63430  1.63430  2.33496  1.16748  1.10314  1.60065  1.10314  1.10314    478
  4  0.88549  1.08749  1.91220  0.95610  0.87540  1.23510  0.87540  0.87540    466

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

   Z   charge   ch_ion    Vmft   Ionic radius
  27   27.674    2.725  -23.540    0.740
  27   29.341    2.678  -23.540    0.740
  20   19.541    1.833  -23.540    1.000
   8    7.727   -1.817  -23.540    1.400

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

  ia     Z    n  l    E_core   n  l     E_val   zero at infinity
  1     27    3  1    -67.225  4  0    -17.882
  2      8    1  0   -514.286  2  0    -29.319
  3     27    3  1    -66.511  4  0    -15.067
  4     20    3  1    -29.182  4  0    -12.968

 Starting energy =  -35.419 eV,    zero at  -3.90 eV

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

 Number of valence electrons =   88.158
 Number of core electrons    =  137.473
 Total                       =  225.631
 Charge from outer sphere    =    1.315
 Sum of atomic number        =  249
 Initial charge              =    0.000
 Cluster charge              =   23.369

 ia   Z     ch_val    ch_core   ch_total     ch_out   Atom charge
  1  27      8.671     17.991     26.662      0.023      0.338
  2   8      5.021      2.000      7.021      0.046      0.979
  3  27      7.188     17.960     25.148      0.192      1.852
  4  20      5.830     11.927     17.757      0.105      2.243

chg_level for neutral absorber= 6.673

chg_level for excited absorber= 7.713

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

     VmoyF =   -20.273 eV,      Vmoyc =    -9.333 eV

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

 Sum of atomic numbers =  249, Reference charge =   225.631

 Cycle  1,   Fermi energy =  -6.872 eV,  Cluster Energy_KS =  -1569.291 eV
         Popul val absorb =   6.526

  At the Fermi level :

             ia   Z   Energy_KS      Charge  pop_orb_val(l)   l    Radius
              1  27     -78.293       1.499       6.435       2   1.23454
              2   8     -87.571       0.529       3.739       1   0.87540
              3  27     -50.275       3.018       5.511       2   1.05174
              4  20    -144.170       2.110       0.061       0   1.10314

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

 Cluster energy:  -193604.000 eV

  ia    Energ_atom      Energ_KS   delta_En_coeur   Fonc_exc     Fonc_coul      Vxc_int
   1    -30892.871       -78.293         0.000     -1517.375     31305.477     -2008.275
   2     -1969.970       -87.571         0.000      -215.797      1950.813      -284.211
   3    -30236.070       -50.275         0.000     -1496.568     30670.284     -1981.057
   4    -15069.862      -144.170         0.000      -922.033     15223.030     -1219.371

 Sum   -193604.000     -1569.291         0.000    -11337.493    195689.100    -14991.885

 E_cut =   -6.87197 eV

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

 Index of the absorbing atom, iaabs =  1

 Point group : -3       (S6   )

 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 :  0 0 0
                                         i :  1
                             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 1 1
              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 25 56 55
       1  1  1  1  1  1                                                                                                                              
       1  j j2  1  j j2                                                                                                                              
       1  1  1 -1 -1 -1                                                                                                                              
       1  j j2 -1 -j  k                                                                                                                              

 Symmetry code      Character code
    1        E     j = exp(2.i.pi/3)
   49      C3z     k = exp(2.i.pi/6)
   50     -C3z
   25        i
   56     -S6z
   55      S6z

 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     7   0   0  0.00000
   8  -0.584888  -1.386575   1.179765   !    1.912205   2    33   3   4  0.00000
   8  -0.908365   1.199815   1.179765   !    1.912205   3    32   3   4  0.00000
   8   0.908365  -1.199815  -1.179765   !    1.912205   4    38   3   4  0.00000
   8   0.584888   1.386575  -1.179765   !    1.912205   5    39   3   4  0.00000
   8  -1.493253  -0.186760  -1.179765   !    1.912205   6    37   3   4  0.00000
   8   1.493253   0.186760   1.179765   !    1.912205   7    31   3   4  0.00000
  27   0.000000   0.000000  -2.591750   !    2.591750   8     2   1   1  0.00000
  27   0.000000   0.000000   2.591750   !    2.591750   9     1   1   1  0.00000
  20   2.858745   0.279878  -0.863917   !    2.999518  10    26   2   3  0.00000
  20  -2.858746  -0.279878   0.863917   !    2.999518  11    23   2   3  0.00000
  20  -1.186991  -2.615685  -0.863917   !    2.999518  12    25   2   3  0.00000
  20   1.671755  -2.335807   0.863917   !    2.999518  13    24   2   3  0.00000
  20   1.186991   2.615685   0.863917   !    2.999518  14    22   2   3  0.00000
  20  -1.671754   2.335807  -0.863917   !    2.999518  15    27   2   3  0.00000
   8   3.037247   2.802445  -0.548069   !    4.168807  16    52   3   4  0.00000
   8   3.945612  -1.229111   0.548069   !    4.168807  17    60   3   4  0.00000
   8  -3.037247  -2.802445   0.548069   !    4.168807  18    58   3   4  0.00000
   8   0.908365  -4.031556  -0.548069   !    4.168807  19    53   3   4  0.00000
   8  -3.945612   1.229111  -0.548069   !    4.168807  20    54   3   4  0.00000
   8  -0.908365   4.031556   0.548069   !    4.168807  21    59   3   4  0.00000
  20  -1.671755  -2.895564   2.591750   !    4.230392  22    15   2   3  0.00000
  20   3.343509   0.000000   2.591750   !    4.230392  23    13   2   3  0.00000
  20  -1.671754   2.895564   2.591750   !    4.230392  24    14   2   3  0.00000
  20   1.671754  -2.895564  -2.591750   !    4.230392  25    17   2   3  0.00000
  20  -3.343509   0.000000  -2.591750   !    4.230392  26    16   2   3  0.00000
  20   1.671755   2.895564  -2.591750   !    4.230392  27    18   2   3  0.00000
   8  -1.493253   0.186760  -4.003735   !    4.277216  28    40   3   4  0.00000
   8   0.908365   1.199815  -4.003735   !    4.277216  29    41   3   4  0.00000
   8  -0.908365  -1.199815   4.003735   !    4.277216  30    35   3   4  0.00000
   8   0.584888  -1.386575  -4.003735   !    4.277216  31    42   3   4  0.00000
   8  -0.584888   1.386575   4.003735   !    4.277216  32    36   3   4  0.00000
   8   1.493253  -0.186760   4.003735   !    4.277216  33    34   3   4  0.00000
   8  -3.622135   1.415871   2.275902   !    4.506027  34    50   3   4  0.00000
   8  -0.584888   3.844796  -2.275902   !    4.506027  35    57   3   4  0.00000
   8  -3.037247  -2.428925  -2.275902   !    4.506027  36    55   3   4  0.00000
   8   0.584888  -3.844796   2.275902   !    4.506027  37    51   3   4  0.00000
   8   3.037247   2.428925   2.275902   !    4.506027  38    49   3   4  0.00000
   8   3.622135  -1.415871  -2.275902   !    4.506027  39    56   3   4  0.00000
   8  -3.037247   2.428925  -2.907598   !    4.855788  40    46   3   4  0.00000
   8   3.037247  -2.428925   2.907598   !    4.855788  41    64   3   4  0.00000
   8  -3.622135  -1.415871   2.907598   !    4.855788  42    65   3   4  0.00000
   8   3.622135   1.415871  -2.907598   !    4.855788  43    47   3   4  0.00000
   8  -0.584888  -3.844796  -2.907598   !    4.855788  44    48   3   4  0.00000
   8   0.584888   3.844796   2.907598   !    4.855788  45    66   3   4  0.00000
  27   0.000000   0.000000  -5.183500   !    5.183500  46     8   1   2  0.00000
  27   0.000000   0.000000   5.183500   !    5.183500  47     8   1   2  0.00000
  20   1.671755   2.335807   4.319583   !    5.187442  48    29   2   3  0.00000
  20   2.858746  -0.279878  -4.319583   !    5.187442  49    21   2   3  0.00000
  20  -1.671755  -2.335807  -4.319583   !    5.187442  50    20   2   3  0.00000
  20  -1.186991   2.615685  -4.319583   !    5.187442  51    19   2   3  0.00000
  20   1.186991  -2.615685   4.319583   !    5.187442  52    28   2   3  0.00000
  20  -2.858746   0.279878   4.319583   !    5.187442  53    30   2   3  0.00000
   8  -5.115388  -1.229111   0.548069   !    5.289450  54    60   3   4  0.00000
   8   5.115388   1.229111  -0.548069   !    5.289450  55    54   3   4  0.00000
   8   3.622135  -3.815500   0.548069   !    5.289450  56    59   3   4  0.00000
   8   1.493253   5.044611   0.548069   !    5.289450  57    58   3   4  0.00000
   8  -1.493253  -5.044611  -0.548069   !    5.289450  58    52   3   4  0.00000
   8  -3.622135   3.815500  -0.548069   !    5.289450  59    53   3   4  0.00000
  27   4.530500  -2.615685  -0.863917   !    5.302225  60     5   1   1  0.00000
  27   0.000000  -5.231371   0.863917   !    5.302225  61     4   1   1  0.00000
  27  -4.530500  -2.615685  -0.863917   !    5.302225  62     5   1   1  0.00000
  27   0.000000   5.231371  -0.863917   !    5.302225  63     5   1   1  0.00000
  27  -4.530500   2.615685   0.863917   !    5.302225  64     4   1   1  0.00000
  27   4.530500   2.615685   0.863917   !    5.302225  65     4   1   1  0.00000
  27  -4.530500   2.615685  -1.727833   !    5.509324  66    10   1   2  0.00000
  27   0.000000   5.231371   1.727833   !    5.509324  67    12   1   2  0.00000
  27   4.530500  -2.615685   1.727833   !    5.509324  68    12   1   2  0.00000
  27   4.530500   2.615685  -1.727833   !    5.509324  69    10   1   2  0.00000
  27  -4.530500  -2.615685   1.727833   !    5.509324  70    12   1   2  0.00000
  27   0.000000  -5.231371  -1.727833   !    5.509324  71    10   1   2  0.00000

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

 ia ib Za Zb   Angle(a,O,b)
  2  3  8  8       85.930
  2  4  8  8       94.070
  2  5  8  8      180.000
  2  6  8  8       94.070
  2  7  8  8       85.930
  3  4  8  8      180.000
  3  5  8  8       94.070
  3  6  8  8       94.070
  3  7  8  8       85.930
  4  5  8  8       85.930
  4  6  8  8       85.930
  4  7  8  8       94.070
  5  6  8  8       85.930
  5  7  8  8       94.070
  6  7  8  8      180.000

 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)
     0  0  0     0  0  0     0  0  0
     0  0  0     0  0  0     0  0  0
     0  0  0     0  0  0     0  0  0

  Quadrupole-quadrupole matrix shape :


    (1,1,k,l)   (1,2,k,l)   (1,3,k,l)
     1  2  3     2  7  8     3  8 12
     2  4  5     7  9 10     8 13 14
     3  5  6     8 10 11    12 14 15

    (2,1,k,l)   (2,2,k,l)   (2,3,k,l)
     2  7  8     4  9 13     5 10 14
     7  9 10     9 16 17    10 17 19
     8 10 11    13 17 18    14 19 20

    (3,1,k,l)   (3,2,k,l)   (3,3,k,l)
     3  8 12     5 10 14     6 11 15
     8 13 14    10 17 19    11 18 20
    12 14 15    14 19 20    15 20 21

 ldip = ( 0 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 :  3.70615E+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   1.00000E+00  0.00000E+00  -1.00000E+00  1.22461E-16   1.00000E+00 -2.26620E-15  -1.00000E+00  6.12303E-16   1.00000E+00 -7.34764E-16  -1.00000E+00  6.12303E-16
  1  3  1   1.00000E+00  0.00000E+00  -1.00000E+00  1.22461E-16   1.00000E+00 -2.26620E-15  -1.00000E+00  6.12303E-16   1.00000E+00 -7.34764E-16  -1.00000E+00  6.12303E-16

 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 =    4.183 A
  nx = 23
  natome =   4, igrpt =  17, Cluster_comp = T, Cluster_mag = F

 ia   Z  it  igr ipr iap     posx      posy      posz   igrpt PtGrName  Atom_comp  Atom_mag
  1  27   0    7   0   1   0.00000   0.00000   0.00000   17      -3        T         F
  2   8   3   31   4   7   1.49325   0.18676   1.17976    1      1         T         F
  3  27   1    1   1   9   0.00000   0.00000   2.59175   16      3         T         F
  4  20   2   22   3  14   1.18699   2.61569   0.86392    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  ia_eq  is_eq
   1      1  1
   2      7  1   2 50   3 49   4 56   5 55   6 25
   3      9  1   8 25
   4     14  1  10 56  11 49  12 25  13 50  15 55

 ---- 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 : 4

   Orbital belonging to the representation :
    1  1

     is  Symmetry    Character
      1        E   1.000  0.000
     25        i  -1.000  0.000
     49      C3z  -0.500  0.866
     50     -C3z  -0.500 -0.866
     55      S6z   0.500  0.866
     56     -S6z   0.500 -0.866

 Useful representation number  2 :

   Number of the corresponding representation : 3

   Orbital belonging to the representation :
    1  0

     is  Symmetry    Character
      1        E   1.000  0.000
     25        i  -1.000  0.000
     49      C3z   1.000  0.000
     50     -C3z   1.000  0.000
     55      S6z  -1.000  0.000
     56     -S6z  -1.000  0.000

 Useful representation number  3 :

   Number of the corresponding representation : 1

   Orbital belonging to the representation :
    0  0    2  0

     is  Symmetry    Character
      1        E   1.000  0.000
     25        i   1.000  0.000
     49      C3z   1.000  0.000
     50     -C3z   1.000  0.000
     55      S6z   1.000  0.000
     56     -S6z   1.000  0.000

 Useful representation number  4 :

   Number of the corresponding representation : 2

   Orbital belonging to the representation :
    2 -2    2  1

     is  Symmetry    Character
      1        E   1.000  0.000
     25        i   1.000  0.000
     49      C3z  -0.500  0.866
     50     -C3z  -0.500 -0.866
     55      S6z  -0.500 -0.866
     56     -S6z  -0.500  0.866

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

 npr =   287, npoint =   371, npso =   371
 natome =   4

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

 Vrop =    -23.236 eV

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

 ipr    Rn     Rnorm     Dab     Rdem     Rayop     Rv0     Rmtsd     Rmtg    nrmtg
  0  1.02373  1.25303  1.91220  0.95610  1.23506  1.28170  1.23506  1.23506    484
  1  1.14276  1.34960  2.06359  1.03179  1.06163  1.33006  1.06163  1.06163    476
  3  1.63430  1.63430  2.33496  1.16748  1.11135  1.82219  1.11135  1.11135    479
  4  0.88848  1.08749  1.91220  0.95610  0.88453  1.23510  0.88453  0.88453    466

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

   Z   charge   ch_ion    Vmft   Ionic radius
  27*  26.741    3.653  -23.236    0.740
  27   25.199    3.838  -23.236    0.740
  20   17.787    2.665  -23.236    1.000
   8    7.066   -1.367  -23.236    1.400

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

     VmoyF =   -19.990 eV,      Vmoyc =    -9.142 eV

     Epsii =  7499.055 eV,  psi*psi =  0.982

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

 Energ = -14.00000 eV

 Vmoy = -19.91008 eV, Vmftabs = -23.35668 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.991E-05  1.733E-06    3.307E-02 -1.916E-03    6.195E-03 -3.591E-04
  1  0    1  1      3.755E-03 -1.219E-04   -9.612E-02  3.122E-03   -1.089E-02  3.541E-04
  2  0    1  1      1.337E-03 -7.546E-05   -5.594E-02  3.157E-03   -1.070E-02  6.041E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.7041167537E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7041167537E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.1538890310E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.1589582524E-04  0.0000000000E+00  2.4656182391E-05
  0.0000000000E+00  1.9275601006E-04  1.1631951906E-05
  2.4656182391E-05  1.1631951906E-05  2.5164169011E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.1569907592E-05  1.1631951906E-05
  6.1569907592E-05  0.0000000000E+00 -2.4656182391E-05
  1.1631951906E-05 -2.4656182391E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.4656182391E-05  1.1631951906E-05  9.2063319487E-05
  1.1631951906E-05 -2.4656182391E-05  0.0000000000E+00
  9.2063319487E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.1569907592E-05  1.1631951906E-05
  6.1569907592E-05  0.0000000000E+00 -2.4656182391E-05
  1.1631951906E-05 -2.4656182391E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.9275601006E-04  0.0000000000E+00 -2.4656182391E-05
  0.0000000000E+00  3.1589582524E-04 -1.1631951906E-05
 -2.4656182391E-05 -1.1631951906E-05  2.5164169011E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.1631951906E-05 -2.4656182391E-05  0.0000000000E+00
 -2.4656182391E-05 -1.1631951906E-05  9.2063319487E-05
  0.0000000000E+00  9.2063319487E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.4656182391E-05  1.1631951906E-05  9.2063319487E-05
  1.1631951906E-05 -2.4656182391E-05  0.0000000000E+00
  9.2063319487E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.1631951906E-05 -2.4656182391E-05  0.0000000000E+00
 -2.4656182391E-05 -1.1631951906E-05  9.2063319487E-05
  0.0000000000E+00  9.2063319487E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.5164169011E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5164169011E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.2202701962E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.8224700522E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8224700522E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2923334186E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.8953749514E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1565360603E-03  6.9791711436E-05
  0.0000000000E+00  6.9791711436E-05  1.5098501407E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.6941944555E-04  6.9791711436E-05
  3.6941944555E-04  0.0000000000E+00  0.0000000000E+00
  6.9791711436E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  6.9791711436E-05  5.5237991692E-04
  6.9791711436E-05  0.0000000000E+00  0.0000000000E+00
  5.5237991692E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.6941944555E-04  6.9791711436E-05
  3.6941944555E-04  0.0000000000E+00  0.0000000000E+00
  6.9791711436E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.1565360603E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8953749514E-03 -6.9791711436E-05
  0.0000000000E+00 -6.9791711436E-05  1.5098501407E-03

 Crystal Tensor_qq(ke,je,3,2)
  6.9791711436E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.9791711436E-05  5.5237991692E-04
  0.0000000000E+00  5.5237991692E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  6.9791711436E-05  5.5237991692E-04
  6.9791711436E-05  0.0000000000E+00  0.0000000000E+00
  5.5237991692E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  6.9791711436E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.9791711436E-05  5.5237991692E-04
  0.0000000000E+00  5.5237991692E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.5098501407E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5098501407E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7321621177E-03

 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  2.85941E-02  2.85941E-02  2.87771E-02  3.62260E-02  4.34757E-02  3.62260E-02  3.36422E-02
   dip-dip  2.82247E-02  2.82247E-02  2.82247E-02  3.55740E-02  4.29233E-02  3.55740E-02  3.31242E-02
   qua-qua  3.69419E-04  3.69419E-04  5.52380E-04  6.51959E-04  5.52380E-04  6.51959E-04  5.17948E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.31897E-03 -3.07612E-17 -4.22829E-03 -2.72027E-17
   dip-dip  0.00000E+00 -2.90137E-17  0.00000E+00 -2.38055E-17
   qua-qua -1.31897E-03 -1.74748E-18 -4.22829E-03 -3.39722E-18

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

 Energ = -13.90000 eV

 Vmoy = -19.91261 eV, Vmftabs = -23.35784 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.811E-05  1.544E-06    3.108E-02 -1.707E-03    5.822E-03 -3.199E-04
  1  0    1  1      3.642E-03 -1.115E-04   -9.322E-02  2.856E-03   -1.056E-02  3.239E-04
  2  0    1  1      1.264E-03 -6.752E-05   -5.289E-02  2.825E-03   -1.012E-02  5.406E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.8098692011E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8098692011E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.1272701186E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.1445349203E-04  0.0000000000E+00  3.0542457947E-05
  0.0000000000E+00  1.5994149886E-04  1.4752440998E-05
  3.0542457947E-05  1.4752440998E-05  1.9996313598E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.7255996585E-05  1.4752440998E-05
  7.7255996585E-05  0.0000000000E+00 -3.0542457947E-05
  1.4752440998E-05 -3.0542457947E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  3.0542457947E-05  1.4752440998E-05  1.1795167848E-04
  1.4752440998E-05 -3.0542457947E-05  0.0000000000E+00
  1.1795167848E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.7255996585E-05  1.4752440998E-05
  7.7255996585E-05  0.0000000000E+00 -3.0542457947E-05
  1.4752440998E-05 -3.0542457947E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.5994149886E-04  0.0000000000E+00 -3.0542457947E-05
  0.0000000000E+00  3.1445349203E-04 -1.4752440998E-05
 -3.0542457947E-05 -1.4752440998E-05  1.9996313598E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.4752440998E-05 -3.0542457947E-05  0.0000000000E+00
 -3.0542457947E-05 -1.4752440998E-05  1.1795167848E-04
  0.0000000000E+00  1.1795167848E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  3.0542457947E-05  1.4752440998E-05  1.1795167848E-04
  1.4752440998E-05 -3.0542457947E-05  0.0000000000E+00
  1.1795167848E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.4752440998E-05 -3.0542457947E-05  0.0000000000E+00
 -3.0542457947E-05 -1.4752440998E-05  1.1795167848E-04
  0.0000000000E+00  1.1795167848E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.9996313598E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9996313598E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.0119517864E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.4859215207E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4859215207E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.4763620712E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.8867209522E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.5964899319E-04  8.8514645988E-05
  0.0000000000E+00  8.8514645988E-05  1.1997788159E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.6353597951E-04  8.8514645988E-05
  4.6353597951E-04  0.0000000000E+00  0.0000000000E+00
  8.8514645988E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  8.8514645988E-05  7.0771007087E-04
  8.8514645988E-05  0.0000000000E+00  0.0000000000E+00
  7.0771007087E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.6353597951E-04  8.8514645988E-05
  4.6353597951E-04  0.0000000000E+00  0.0000000000E+00
  8.8514645988E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  9.5964899319E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8867209522E-03 -8.8514645988E-05
  0.0000000000E+00 -8.8514645988E-05  1.1997788159E-03

 Crystal Tensor_qq(ke,je,3,2)
  8.8514645988E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.8514645988E-05  7.0771007087E-04
  0.0000000000E+00  7.0771007087E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  8.8514645988E-05  7.0771007087E-04
  8.8514645988E-05  0.0000000000E+00  0.0000000000E+00
  7.0771007087E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  8.8514645988E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.8514645988E-05  7.0771007087E-04
  0.0000000000E+00  7.0771007087E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.1997788159E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1997788159E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2071710718E-03

 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  3.53228E-02  3.53228E-02  3.55669E-02  4.57350E-02  5.54713E-02  4.57350E-02  4.21779E-02
   dip-dip  3.48592E-02  3.48592E-02  3.48592E-02  4.48114E-02  5.47636E-02  4.48114E-02  4.14940E-02
   qua-qua  4.63536E-04  4.63536E-04  7.07710E-04  9.23584E-04  7.07710E-04  9.23584E-04  6.83885E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.63387E-03 -4.14899E-17 -5.23779E-03 -3.64571E-17
   dip-dip  0.00000E+00 -3.92900E-17  0.00000E+00 -3.22371E-17
   qua-qua -1.63387E-03 -2.19991E-18 -5.23779E-03 -4.22003E-18

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

 Energ = -13.80000 eV

 Vmoy = -19.91525 eV, Vmftabs = -23.35900 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.649E-05  1.383E-06    2.928E-02 -1.528E-03    5.486E-03 -2.864E-04
  1  0    1  1      3.538E-03 -1.024E-04   -9.057E-02  2.623E-03   -1.026E-02  2.975E-04
  2  0    1  1      1.199E-03 -6.073E-05   -5.015E-02  2.541E-03   -9.592E-03  4.862E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.2782653745E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2782653745E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1988985248E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  3.1982973898E-04  0.0000000000E+00  3.7438240023E-05
  0.0000000000E+00  1.2191170684E-04  1.8674267174E-05
  3.7438240023E-05  1.8674267174E-05  1.0914477538E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  9.8959016073E-05  1.8674267174E-05
  9.8959016073E-05  0.0000000000E+00 -3.7438240023E-05
  1.8674267174E-05 -3.7438240023E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  3.7438240023E-05  1.8674267174E-05  1.5439864588E-04
  1.8674267174E-05 -3.7438240023E-05  0.0000000000E+00
  1.5439864588E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  9.8959016073E-05  1.8674267174E-05
  9.8959016073E-05  0.0000000000E+00 -3.7438240023E-05
  1.8674267174E-05 -3.7438240023E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.2191170684E-04  0.0000000000E+00 -3.7438240023E-05
  0.0000000000E+00  3.1982973898E-04 -1.8674267174E-05
 -3.7438240023E-05 -1.8674267174E-05  1.0914477538E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.8674267174E-05 -3.7438240023E-05  0.0000000000E+00
 -3.7438240023E-05 -1.8674267174E-05  1.5439864588E-04
  0.0000000000E+00  1.5439864588E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  3.7438240023E-05  1.8674267174E-05  1.5439864588E-04
  1.8674267174E-05 -3.7438240023E-05  0.0000000000E+00
  1.5439864588E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.8674267174E-05 -3.7438240023E-05  0.0000000000E+00
 -3.7438240023E-05 -1.8674267174E-05  1.5439864588E-04
  0.0000000000E+00  1.5439864588E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.0914477538E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0914477538E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.9106055746E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.3669592247E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3669592247E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.1933911490E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.9189784339E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3147024102E-04  1.1204560305E-04
  0.0000000000E+00  1.1204560305E-04  6.5486865230E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.9375409644E-04  1.1204560305E-04
  5.9375409644E-04  0.0000000000E+00  0.0000000000E+00
  1.1204560305E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.1204560305E-04  9.2639187529E-04
  1.1204560305E-04  0.0000000000E+00  0.0000000000E+00
  9.2639187529E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.9375409644E-04  1.1204560305E-04
  5.9375409644E-04  0.0000000000E+00  0.0000000000E+00
  1.1204560305E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  7.3147024102E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9189784339E-03 -1.1204560305E-04
  0.0000000000E+00 -1.1204560305E-04  6.5486865230E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.1204560305E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1204560305E-04  9.2639187529E-04
  0.0000000000E+00  9.2639187529E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.1204560305E-04  9.2639187529E-04
  1.1204560305E-04  0.0000000000E+00  0.0000000000E+00
  9.2639187529E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.1204560305E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1204560305E-04  9.2639187529E-04
  0.0000000000E+00  9.2639187529E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  6.5486865230E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.5486865230E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.7463633448E-03

 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  4.42633E-02  4.42633E-02  4.45960E-02  5.91407E-02  7.28603E-02  5.91407E-02  5.40165E-02
   dip-dip  4.36696E-02  4.36696E-02  4.36696E-02  5.78018E-02  7.19339E-02  5.78018E-02  5.30910E-02
   qua-qua  5.93754E-04  5.93754E-04  9.26392E-04  1.33890E-03  9.26392E-04  1.33890E-03  9.25515E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.00279E-03 -5.85540E-17 -6.42045E-03 -5.09717E-17
   dip-dip  0.00000E+00 -5.57926E-17  0.00000E+00 -4.57773E-17
   qua-qua -2.00279E-03 -2.76138E-18 -6.42045E-03 -5.19441E-18

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

 Energ = -13.70000 eV

 Vmoy = -19.91774 eV, Vmftabs = -23.36014 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.504E-05  1.245E-06    2.768E-02 -1.376E-03    5.186E-03 -2.579E-04
  1  0    1  1      3.443E-03 -9.443E-05   -8.813E-02  2.418E-03   -9.987E-03  2.743E-04
  2  0    1  1      1.140E-03 -5.489E-05   -4.768E-02  2.297E-03   -9.120E-03  4.395E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.2637357764E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2637357764E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6308877126E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  3.5469087138E-04  0.0000000000E+00  4.4718767750E-05
  0.0000000000E+00  9.5047656338E-05  2.3382886476E-05
  4.4718767750E-05  2.3382886476E-05 -1.8577510517E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.2982160752E-04  2.3382886476E-05
  1.2982160752E-04  0.0000000000E+00 -4.4718767750E-05
  2.3382886476E-05 -4.4718767750E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  4.4718767750E-05  2.3382886476E-05  2.0715648497E-04
  2.3382886476E-05 -4.4718767750E-05  0.0000000000E+00
  2.0715648497E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.2982160752E-04  2.3382886476E-05
  1.2982160752E-04  0.0000000000E+00 -4.4718767750E-05
  2.3382886476E-05 -4.4718767750E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  9.5047656338E-05  0.0000000000E+00 -4.4718767750E-05
  0.0000000000E+00  3.5469087138E-04 -2.3382886476E-05
 -4.4718767750E-05 -2.3382886476E-05 -1.8577510517E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.3382886476E-05 -4.4718767750E-05  0.0000000000E+00
 -4.4718767750E-05 -2.3382886476E-05  2.0715648497E-04
  0.0000000000E+00  2.0715648497E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  4.4718767750E-05  2.3382886476E-05  2.0715648497E-04
  2.3382886476E-05 -4.4718767750E-05  0.0000000000E+00
  2.0715648497E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.3382886476E-05 -4.4718767750E-05  0.0000000000E+00
 -4.4718767750E-05 -2.3382886476E-05  2.0715648497E-04
  0.0000000000E+00  2.0715648497E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.8577510517E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8577510517E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.0978491614E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.5582414659E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.5582414659E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.7853262757E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.1281452283E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7028593803E-04  1.4029731885E-04
  0.0000000000E+00  1.4029731885E-04 -1.1146506310E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  7.7892964513E-04  1.4029731885E-04
  7.7892964513E-04  0.0000000000E+00  0.0000000000E+00
  1.4029731885E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.4029731885E-04  1.2429389098E-03
  1.4029731885E-04  0.0000000000E+00  0.0000000000E+00
  1.2429389098E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  7.7892964513E-04  1.4029731885E-04
  7.7892964513E-04  0.0000000000E+00  0.0000000000E+00
  1.4029731885E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  5.7028593803E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1281452283E-03 -1.4029731885E-04
  0.0000000000E+00 -1.4029731885E-04 -1.1146506310E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.4029731885E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4029731885E-04  1.2429389098E-03
  0.0000000000E+00  1.2429389098E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.4029731885E-04  1.2429389098E-03
  1.4029731885E-04  0.0000000000E+00  0.0000000000E+00
  1.2429389098E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.4029731885E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4029731885E-04  1.2429389098E-03
  0.0000000000E+00  1.2429389098E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.1146506310E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1146506310E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.4587094969E-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  5.63613E-02  5.63613E-02  5.68254E-02  7.86703E-02  9.90962E-02  7.86703E-02  7.09502E-02
   dip-dip  5.55824E-02  5.55824E-02  5.55824E-02  7.67178E-02  9.78533E-02  7.67178E-02  6.96727E-02
   qua-qua  7.78930E-04  7.78930E-04  1.24294E-03  1.95245E-03  1.24294E-03  1.95245E-03  1.27747E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.39229E-03 -8.68672E-17 -7.66912E-03 -7.47106E-17
   dip-dip  0.00000E+00 -8.34420E-17  0.00000E+00 -6.84634E-17
   qua-qua -2.39229E-03 -3.42517E-18 -7.66912E-03 -6.24724E-18

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

 Energ = -13.60000 eV

 Vmoy = -19.92045 eV, Vmftabs = -23.36128 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.372E-05  1.125E-06    2.622E-02 -1.244E-03    4.913E-03 -2.331E-04
  1  0    1  1      3.356E-03 -8.733E-05   -8.590E-02  2.236E-03   -9.734E-03  2.536E-04
  2  0    1  1      1.086E-03 -4.982E-05   -4.543E-02  2.085E-03   -8.691E-03  3.989E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.2010711022E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2010711022E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3131435619E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  4.3594077146E-04  0.0000000000E+00  5.0197405417E-05
  0.0000000000E+00  8.5314161143E-05  2.8365257600E-05
  5.0197405417E-05  2.8365257600E-05 -1.7160901398E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.7531330516E-04  2.8365257600E-05
  1.7531330516E-04  0.0000000000E+00 -5.0197405417E-05
  2.8365257600E-05 -5.0197405417E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  5.0197405417E-05  2.8365257600E-05  2.8607176289E-04
  2.8365257600E-05 -5.0197405417E-05  0.0000000000E+00
  2.8607176289E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.7531330516E-04  2.8365257600E-05
  1.7531330516E-04  0.0000000000E+00 -5.0197405417E-05
  2.8365257600E-05 -5.0197405417E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  8.5314161143E-05  0.0000000000E+00 -5.0197405417E-05
  0.0000000000E+00  4.3594077146E-04 -2.8365257600E-05
 -5.0197405417E-05 -2.8365257600E-05 -1.7160901398E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  2.8365257600E-05 -5.0197405417E-05  0.0000000000E+00
 -5.0197405417E-05 -2.8365257600E-05  2.8607176289E-04
  0.0000000000E+00  2.8607176289E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  5.0197405417E-05  2.8365257600E-05  2.8607176289E-04
  2.8365257600E-05 -5.0197405417E-05  0.0000000000E+00
  2.8607176289E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.8365257600E-05 -5.0197405417E-05  0.0000000000E+00
 -5.0197405417E-05 -2.8365257600E-05  2.8607176289E-04
  0.0000000000E+00  2.8607176289E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.7160901398E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7160901398E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0343270263E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  7.2064266132E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2064266132E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3878861371E-01

 Crystal Tensor_qq(ke,je,1,1)
  2.6156446288E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1188496686E-04  1.7019154560E-04
  0.0000000000E+00  1.7019154560E-04 -1.0296540839E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.0518798309E-03  1.7019154560E-04
  1.0518798309E-03  0.0000000000E+00  0.0000000000E+00
  1.7019154560E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.7019154560E-04  1.7164305773E-03
  1.7019154560E-04  0.0000000000E+00  0.0000000000E+00
  1.7164305773E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.0518798309E-03  1.7019154560E-04
  1.0518798309E-03  0.0000000000E+00  0.0000000000E+00
  1.7019154560E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  5.1188496686E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6156446288E-03 -1.7019154560E-04
  0.0000000000E+00 -1.7019154560E-04 -1.0296540839E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.7019154560E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7019154560E-04  1.7164305773E-03
  0.0000000000E+00  1.7164305773E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.7019154560E-04  1.7164305773E-03
  1.7019154560E-04  0.0000000000E+00  0.0000000000E+00
  1.7164305773E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.7019154560E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7019154560E-04  1.7164305773E-03
  0.0000000000E+00  1.7164305773E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.0296540839E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0296540839E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.2059621581E-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  7.31161E-02  7.31161E-02  7.37807E-02  1.08147E-01  1.40505E-01  1.08147E-01  9.60683E-02
   dip-dip  7.20643E-02  7.20643E-02  7.20643E-02  1.05426E-01  1.38789E-01  1.05426E-01  9.43057E-02
   qua-qua  1.05188E-03  1.05188E-03  1.71643E-03  2.72023E-03  1.71643E-03  2.72023E-03  1.76259E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.68542E-03 -1.35830E-16 -8.60880E-03 -1.15177E-16
   dip-dip  0.00000E+00 -1.31715E-16  0.00000E+00 -1.08071E-16
   qua-qua -2.68542E-03 -4.11593E-18 -8.60880E-03 -7.10630E-18

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

 Energ = -13.50000 eV

 Vmoy = -19.92303 eV, Vmftabs = -23.36240 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.253E-05  1.022E-06    2.491E-02 -1.130E-03    4.666E-03 -2.118E-04
  1  0    1  1      3.276E-03 -8.100E-05   -8.384E-02  2.074E-03   -9.500E-03  2.353E-04
  2  0    1  1      1.037E-03 -4.541E-05   -4.339E-02  1.900E-03   -8.300E-03  3.636E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5890484257E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5890484257E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4282905652E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  5.5493337695E-04  0.0000000000E+00  4.7775392127E-05
  0.0000000000E+00  6.4492976723E-05  3.1574422201E-05
  4.7775392127E-05  3.1574422201E-05 -2.9479336361E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.4522020011E-04  3.1574422201E-05
  2.4522020011E-04  0.0000000000E+00 -4.7775392127E-05
  3.1574422201E-05 -4.7775392127E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  4.7775392127E-05  3.1574422201E-05  4.0765989952E-04
  3.1574422201E-05 -4.7775392127E-05  0.0000000000E+00
  4.0765989952E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.4522020011E-04  3.1574422201E-05
  2.4522020011E-04  0.0000000000E+00 -4.7775392127E-05
  3.1574422201E-05 -4.7775392127E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  6.4492976723E-05  0.0000000000E+00 -4.7775392127E-05
  0.0000000000E+00  5.5493337695E-04 -3.1574422201E-05
 -4.7775392127E-05 -3.1574422201E-05 -2.9479336361E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  3.1574422201E-05 -4.7775392127E-05  0.0000000000E+00
 -4.7775392127E-05 -3.1574422201E-05  4.0765989952E-04
  0.0000000000E+00  4.0765989952E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  4.7775392127E-05  3.1574422201E-05  4.0765989952E-04
  3.1574422201E-05 -4.7775392127E-05  0.0000000000E+00
  4.0765989952E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.1574422201E-05 -4.7775392127E-05  0.0000000000E+00
 -4.7775392127E-05 -3.1574422201E-05  4.0765989952E-04
  0.0000000000E+00  4.0765989952E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.9479336361E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9479336361E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0626704802E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.5342905541E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.5342905541E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0569743391E-01

 Crystal Tensor_qq(ke,je,1,1)
  3.3296002617E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8695786034E-04  1.8944653321E-04
  0.0000000000E+00  1.8944653321E-04 -1.7687601817E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.4713212007E-03  1.8944653321E-04
  1.4713212007E-03  0.0000000000E+00  0.0000000000E+00
  1.8944653321E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.8944653321E-04  2.4459593971E-03
  1.8944653321E-04  0.0000000000E+00  0.0000000000E+00
  2.4459593971E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.4713212007E-03  1.8944653321E-04
  1.4713212007E-03  0.0000000000E+00  0.0000000000E+00
  1.8944653321E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  3.8695786034E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3296002617E-03 -1.8944653321E-04
  0.0000000000E+00 -1.8944653321E-04 -1.7687601817E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.8944653321E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8944653321E-04  2.4459593971E-03
  0.0000000000E+00  2.4459593971E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.8944653321E-04  2.4459593971E-03
  1.8944653321E-04  0.0000000000E+00  0.0000000000E+00
  2.4459593971E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.8944653321E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8944653321E-04  2.4459593971E-03
  0.0000000000E+00  2.4459593971E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.7687601817E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7687601817E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.3760228810E-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  9.68142E-02  9.68142E-02  9.77889E-02  1.53831E-01  2.08143E-01  1.53831E-01  1.34479E-01
   dip-dip  9.53429E-02  9.53429E-02  9.53429E-02  1.50520E-01  2.05697E-01  1.50520E-01  1.32128E-01
   qua-qua  1.47132E-03  1.47132E-03  2.44596E-03  3.31079E-03  2.44596E-03  3.31079E-03  2.35170E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.55588E-03 -2.22402E-16 -8.19353E-03 -1.85729E-16
   dip-dip  0.00000E+00 -2.17844E-16  0.00000E+00 -1.78739E-16
   qua-qua -2.55588E-03 -4.55792E-18 -8.19353E-03 -6.99024E-18

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

 Energ = -13.40000 eV

 Vmoy = -19.92603 eV, Vmftabs = -23.36352 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.143E-05  9.307E-07    2.369E-02 -1.029E-03    4.438E-03 -1.928E-04
  1  0    1  1      3.202E-03 -7.533E-05   -8.194E-02  1.929E-03   -9.286E-03  2.188E-04
  2  0    1  1      9.926E-04 -4.152E-05   -4.152E-02  1.737E-03   -7.943E-03  3.324E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1491982627E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1491982627E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.2381832234E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  6.8289975411E-04  0.0000000000E+00  2.3747482297E-05
  0.0000000000E+00 -3.1940110410E-05  2.7132750271E-05
  2.3747482297E-05  2.7132750271E-05 -3.1998809695E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.5741993226E-04  2.7132750271E-05
  3.5741993226E-04  0.0000000000E+00 -2.3747482297E-05
  2.7132750271E-05 -2.3747482297E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.3747482297E-05  2.7132750271E-05  5.9641393640E-04
  2.7132750271E-05 -2.3747482297E-05  0.0000000000E+00
  5.9641393640E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.5741993226E-04  2.7132750271E-05
  3.5741993226E-04  0.0000000000E+00 -2.3747482297E-05
  2.7132750271E-05 -2.3747482297E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.1940110410E-05  0.0000000000E+00 -2.3747482297E-05
  0.0000000000E+00  6.8289975411E-04 -2.7132750271E-05
 -2.3747482297E-05 -2.7132750271E-05 -3.1998809695E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  2.7132750271E-05 -2.3747482297E-05  0.0000000000E+00
 -2.3747482297E-05 -2.7132750271E-05  5.9641393640E-04
  0.0000000000E+00  5.9641393640E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.3747482297E-05  2.7132750271E-05  5.9641393640E-04
  2.7132750271E-05 -2.3747482297E-05  0.0000000000E+00
  5.9641393640E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.7132750271E-05 -2.3747482297E-05  0.0000000000E+00
 -2.3747482297E-05 -2.7132750271E-05  5.9641393640E-04
  0.0000000000E+00  5.9641393640E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.1998809695E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1998809695E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.2202378593E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2895189576E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2895189576E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1429099340E-01

 Crystal Tensor_qq(ke,je,1,1)
  4.0973985246E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9164066246E-04  1.6279650163E-04
  0.0000000000E+00  1.6279650163E-04 -1.9199285817E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.1445195936E-03  1.6279650163E-04
  2.1445195936E-03  0.0000000000E+00  0.0000000000E+00
  1.6279650163E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.6279650163E-04  3.5784836184E-03
  1.6279650163E-04  0.0000000000E+00  0.0000000000E+00
  3.5784836184E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.1445195936E-03  1.6279650163E-04
  2.1445195936E-03  0.0000000000E+00  0.0000000000E+00
  1.6279650163E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.9164066246E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0973985246E-03 -1.6279650163E-04
  0.0000000000E+00 -1.6279650163E-04 -1.9199285817E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.6279650163E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6279650163E-04  3.5784836184E-03
  0.0000000000E+00  3.5784836184E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.6279650163E-04  3.5784836184E-03
  1.6279650163E-04  0.0000000000E+00  0.0000000000E+00
  3.5784836184E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.6279650163E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6279650163E-04  3.5784836184E-03
  0.0000000000E+00  3.5784836184E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.9199285817E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9199285817E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.5321427156E-03

 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  1.31096E-01  1.31096E-01  1.32530E-01  2.24989E-01  3.17869E-01  2.24989E-01  1.93776E-01
   dip-dip  1.28952E-01  1.28952E-01  1.28952E-01  2.21621E-01  3.14291E-01  2.21621E-01  1.90732E-01
   qua-qua  2.14452E-03  2.14452E-03  3.57848E-03  3.36735E-03  3.57848E-03  3.36735E-03  3.04419E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.27045E-03 -3.69863E-16 -4.07277E-03 -3.04278E-16
   dip-dip  0.00000E+00 -3.65871E-16  0.00000E+00 -3.00194E-16
   qua-qua -1.27045E-03 -3.99265E-18 -4.07277E-03 -4.08398E-18

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

 Energ = -13.30000 eV

 Vmoy = -19.92897 eV, Vmftabs = -23.36462 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.043E-05  8.507E-07    2.258E-02 -9.405E-04    4.231E-03 -1.762E-04
  1  0    1  1      3.133E-03 -7.023E-05   -8.018E-02  1.799E-03   -9.086E-03  2.040E-04
  2  0    1  1      9.517E-04 -3.810E-05   -3.981E-02  1.594E-03   -7.615E-03  3.050E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.9638249265E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9638249265E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7111948923E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  8.3080249892E-04  0.0000000000E+00 -3.3889913957E-05
  0.0000000000E+00 -2.3512890989E-04  5.3670207801E-06
 -3.3889913957E-05  5.3670207801E-06 -2.6855064046E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.3296570440E-04  5.3670207801E-06
  5.3296570440E-04  0.0000000000E+00  3.3889913957E-05
  5.3670207801E-06  3.3889913957E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.3889913957E-05  5.3670207801E-06  8.5738167828E-04
  5.3670207801E-06  3.3889913957E-05  0.0000000000E+00
  8.5738167828E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.3296570440E-04  5.3670207801E-06
  5.3296570440E-04  0.0000000000E+00  3.3889913957E-05
  5.3670207801E-06  3.3889913957E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.3512890989E-04  0.0000000000E+00  3.3889913957E-05
  0.0000000000E+00  8.3080249892E-04 -5.3670207801E-06
  3.3889913957E-05 -5.3670207801E-06 -2.6855064046E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  5.3670207801E-06  3.3889913957E-05  0.0000000000E+00
  3.3889913957E-05 -5.3670207801E-06  8.5738167828E-04
  0.0000000000E+00  8.5738167828E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.3889913957E-05  5.3670207801E-06  8.5738167828E-04
  5.3670207801E-06  3.3889913957E-05  0.0000000000E+00
  8.5738167828E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  5.3670207801E-06  3.3889913957E-05  0.0000000000E+00
  3.3889913957E-05 -5.3670207801E-06  8.5738167828E-04
  0.0000000000E+00  8.5738167828E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.6855064046E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6855064046E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.0700070316E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.7782949559E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7782949559E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6267169354E-01

 Crystal Tensor_qq(ke,je,1,1)
  4.9848149935E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4107734593E-03  3.2202124681E-05
  0.0000000000E+00  3.2202124681E-05 -1.6113038428E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.1977942264E-03  3.2202124681E-05
  3.1977942264E-03  0.0000000000E+00  0.0000000000E+00
  3.2202124681E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.2202124681E-05  5.1442900697E-03
  3.2202124681E-05  0.0000000000E+00  0.0000000000E+00
  5.1442900697E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.1977942264E-03  3.2202124681E-05
  3.1977942264E-03  0.0000000000E+00  0.0000000000E+00
  3.2202124681E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.4107734593E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9848149935E-03 -3.2202124681E-05
  0.0000000000E+00 -3.2202124681E-05 -1.6113038428E-03

 Crystal Tensor_qq(ke,je,3,2)
  3.2202124681E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2202124681E-05  5.1442900697E-03
  0.0000000000E+00  5.1442900697E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.2202124681E-05  5.1442900697E-03
  3.2202124681E-05  0.0000000000E+00  0.0000000000E+00
  5.1442900697E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.2202124681E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2202124681E-05  5.1442900697E-03
  0.0000000000E+00  5.1442900697E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.6113038428E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6113038428E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2420042189E-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  1.81027E-01  1.81027E-01  1.82974E-01  3.23363E-01  4.67816E-01  3.23363E-01  2.76731E-01
   dip-dip  1.77829E-01  1.77829E-01  1.77829E-01  3.20251E-01  4.62672E-01  3.20251E-01  2.72777E-01
   qua-qua  3.19779E-03  3.19779E-03  5.14429E-03  3.11236E-03  5.14429E-03  3.11236E-03  3.95361E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.81308E-03 -5.63659E-16  5.81231E-03 -4.57995E-16
   dip-dip  0.00000E+00 -5.62303E-16  0.00000E+00 -4.61365E-16
   qua-qua  1.81308E-03 -1.35532E-18  5.81231E-03  3.36925E-18

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

 Energ = -13.20000 eV

 Vmoy = -19.93175 eV, Vmftabs = -23.36572 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.951E-05  7.807E-07    2.157E-02 -8.631E-04    4.041E-03 -1.617E-04
  1  0    1  1      3.069E-03 -6.563E-05   -7.855E-02  1.681E-03   -8.901E-03  1.907E-04
  2  0    1  1      9.141E-04 -3.507E-05   -3.824E-02  1.468E-03   -7.315E-03  2.808E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.1221494326E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1221494326E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.3618035212E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  9.8588082315E-04  0.0000000000E+00 -5.9756721306E-05
  0.0000000000E+00 -4.7683918668E-04 -1.9982698248E-05
 -5.9756721306E-05 -1.9982698248E-05 -2.0327208819E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.3136000491E-04 -1.9982698248E-05
  7.3136000491E-04  0.0000000000E+00  5.9756721306E-05
 -1.9982698248E-05  5.9756721306E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -5.9756721306E-05 -1.9982698248E-05  1.0598937028E-03
 -1.9982698248E-05  5.9756721306E-05  0.0000000000E+00
  1.0598937028E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.3136000491E-04 -1.9982698248E-05
  7.3136000491E-04  0.0000000000E+00  5.9756721306E-05
 -1.9982698248E-05  5.9756721306E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.7683918668E-04  0.0000000000E+00  5.9756721306E-05
  0.0000000000E+00  9.8588082315E-04  1.9982698248E-05
  5.9756721306E-05  1.9982698248E-05 -2.0327208819E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.9982698248E-05  5.9756721306E-05  0.0000000000E+00
  5.9756721306E-05  1.9982698248E-05  1.0598937028E-03
  0.0000000000E+00  1.0598937028E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -5.9756721306E-05 -1.9982698248E-05  1.0598937028E-03
 -1.9982698248E-05  5.9756721306E-05  0.0000000000E+00
  1.0598937028E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.9982698248E-05  5.9756721306E-05  0.0000000000E+00
  5.9756721306E-05  1.9982698248E-05  1.0598937028E-03
  0.0000000000E+00  1.0598937028E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.0327208819E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0327208819E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.2505742627E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.4732896596E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4732896596E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.6170821127E-01

 Crystal Tensor_qq(ke,je,1,1)
  5.9152849389E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8610351201E-03 -1.1989618949E-04
  0.0000000000E+00 -1.1989618949E-04 -1.2196325292E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.3881600295E-03 -1.1989618949E-04
  4.3881600295E-03  0.0000000000E+00  0.0000000000E+00
 -1.1989618949E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.1989618949E-04  6.3593622167E-03
 -1.1989618949E-04  0.0000000000E+00  0.0000000000E+00
  6.3593622167E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.3881600295E-03 -1.1989618949E-04
  4.3881600295E-03  0.0000000000E+00  0.0000000000E+00
 -1.1989618949E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.8610351201E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9152849389E-03  1.1989618949E-04
  0.0000000000E+00  1.1989618949E-04 -1.2196325292E-03

 Crystal Tensor_qq(ke,je,3,2)
 -1.1989618949E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1989618949E-04  6.3593622167E-03
  0.0000000000E+00  6.3593622167E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.1989618949E-04  6.3593622167E-03
 -1.1989618949E-04  0.0000000000E+00  0.0000000000E+00
  6.3593622167E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.1989618949E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1989618949E-04  6.3593622167E-03
  0.0000000000E+00  6.3593622167E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.2196325292E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2196325292E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1503445576E-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  2.51717E-01  2.51717E-01  2.53688E-01  4.07395E-01  5.68068E-01  4.07395E-01  3.56896E-01
   dip-dip  2.47329E-01  2.47329E-01  2.47329E-01  4.04519E-01  5.61708E-01  4.04519E-01  3.52122E-01
   qua-qua  4.38816E-03  4.38816E-03  6.35936E-03  2.87622E-03  6.35936E-03  2.87622E-03  4.77346E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  3.19698E-03 -6.19795E-16  1.02487E-02 -5.02079E-16
   dip-dip  0.00000E+00 -6.20620E-16  0.00000E+00 -5.09213E-16
   qua-qua  3.19698E-03  8.25623E-19  1.02487E-02  7.13426E-18

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

 Energ = -13.10000 eV

 Vmoy = -19.93469 eV, Vmftabs = -23.36681 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.867E-05  7.183E-07    2.064E-02 -7.941E-04    3.866E-03 -1.488E-04
  1  0    1  1      3.010E-03 -6.146E-05   -7.703E-02  1.574E-03   -8.729E-03  1.786E-04
  2  0    1  1      8.794E-04 -3.238E-05   -3.679E-02  1.355E-03   -7.037E-03  2.593E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.6106385402E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.6106385402E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.3302096976E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0234425997E-03  0.0000000000E+00  6.6593290003E-05
  0.0000000000E+00 -5.9483222024E-04  5.9396691578E-06
  6.6593290003E-05  5.9396691578E-06 -1.5151336454E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.0913741000E-04  5.9396691578E-06
  8.0913741000E-04  0.0000000000E+00 -6.6593290003E-05
  5.9396691578E-06 -6.6593290003E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  6.6593290003E-05  5.9396691578E-06  1.0222865871E-03
  5.9396691578E-06 -6.6593290003E-05  0.0000000000E+00
  1.0222865871E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.0913741000E-04  5.9396691578E-06
  8.0913741000E-04  0.0000000000E+00 -6.6593290003E-05
  5.9396691578E-06 -6.6593290003E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -5.9483222024E-04  0.0000000000E+00 -6.6593290003E-05
  0.0000000000E+00  1.0234425997E-03 -5.9396691578E-06
 -6.6593290003E-05 -5.9396691578E-06 -1.5151336454E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  5.9396691578E-06 -6.6593290003E-05  0.0000000000E+00
 -6.6593290003E-05 -5.9396691578E-06  1.0222865871E-03
  0.0000000000E+00  1.0222865871E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  6.6593290003E-05  5.9396691578E-06  1.0222865871E-03
  5.9396691578E-06 -6.6593290003E-05  0.0000000000E+00
  1.0222865871E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  5.9396691578E-06 -6.6593290003E-05  0.0000000000E+00
 -6.6593290003E-05 -5.9396691578E-06  1.0222865871E-03
  0.0000000000E+00  1.0222865871E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.5151336454E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5151336454E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9865980755E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.3663831241E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3663831241E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.9981258185E-01

 Crystal Tensor_qq(ke,je,1,1)
  6.1406555985E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5689933215E-03  3.5638014947E-05
  0.0000000000E+00  3.5638014947E-05 -9.0908018722E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.8548244600E-03  3.5638014947E-05
  4.8548244600E-03  0.0000000000E+00  0.0000000000E+00
  3.5638014947E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.5638014947E-05  6.1337195226E-03
  3.5638014947E-05  0.0000000000E+00  0.0000000000E+00
  6.1337195226E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.8548244600E-03  3.5638014947E-05
  4.8548244600E-03  0.0000000000E+00  0.0000000000E+00
  3.5638014947E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.5689933215E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1406555985E-03 -3.5638014947E-05
  0.0000000000E+00 -3.5638014947E-05 -9.0908018722E-04

 Crystal Tensor_qq(ke,je,3,2)
  3.5638014947E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5638014947E-05  6.1337195226E-03
  0.0000000000E+00  6.1337195226E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.5638014947E-05  6.1337195226E-03
  3.5638014947E-05  0.0000000000E+00  0.0000000000E+00
  6.1337195226E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.5638014947E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5638014947E-05  6.1337195226E-03
  0.0000000000E+00  6.1337195226E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -9.0908018722E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.0908018722E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3919588453E-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  3.41493E-01  3.41493E-01  3.42772E-01  4.20813E-01  5.05946E-01  4.20813E-01  3.95792E-01
   dip-dip  3.36638E-01  3.36638E-01  3.36638E-01  4.18225E-01  4.99813E-01  4.18225E-01  3.91030E-01
   qua-qua  4.85482E-03  4.85482E-03  6.13372E-03  2.58769E-03  6.13372E-03  2.58769E-03  4.76181E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.56278E-03 -3.26652E-16 -1.14214E-02 -2.73247E-16
   dip-dip  0.00000E+00 -3.22129E-16  0.00000E+00 -2.64304E-16
   qua-qua -3.56278E-03 -4.52296E-18 -1.14214E-02 -8.94304E-18

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

 Energ = -13.00000 eV

 Vmoy = -19.93766 eV, Vmftabs = -23.36789 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.789E-05  6.628E-07    1.978E-02 -7.327E-04    3.705E-03 -1.373E-04
  1  0    1  1      2.955E-03 -5.767E-05   -7.561E-02  1.477E-03   -8.568E-03  1.676E-04
  2  0    1  1      8.473E-04 -2.997E-05   -3.544E-02  1.254E-03   -6.780E-03  2.400E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.0251727198E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.0251727198E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0398731389E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  9.4820182825E-04  0.0000000000E+00  2.3159185609E-04
  0.0000000000E+00 -5.8426893118E-04  6.2354164529E-05
  2.3159185609E-04  6.2354164529E-05 -1.1547663541E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.6623537972E-04  6.2354164529E-05
  7.6623537972E-04  0.0000000000E+00 -2.3159185609E-04
  6.2354164529E-05 -2.3159185609E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.3159185609E-04  6.2354164529E-05  8.8763186339E-04
  6.2354164529E-05 -2.3159185609E-04  0.0000000000E+00
  8.8763186339E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.6623537972E-04  6.2354164529E-05
  7.6623537972E-04  0.0000000000E+00 -2.3159185609E-04
  6.2354164529E-05 -2.3159185609E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -5.8426893118E-04  0.0000000000E+00 -2.3159185609E-04
  0.0000000000E+00  9.4820182825E-04 -6.2354164529E-05
 -2.3159185609E-04 -6.2354164529E-05 -1.1547663541E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  6.2354164529E-05 -2.3159185609E-04  0.0000000000E+00
 -2.3159185609E-04 -6.2354164529E-05  8.8763186339E-04
  0.0000000000E+00  8.8763186339E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.3159185609E-04  6.2354164529E-05  8.8763186339E-04
  6.2354164529E-05 -2.3159185609E-04  0.0000000000E+00
  8.8763186339E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  6.2354164529E-05 -2.3159185609E-04  0.0000000000E+00
 -2.3159185609E-04 -6.2354164529E-05  8.8763186339E-04
  0.0000000000E+00  8.8763186339E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.1547663541E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1547663541E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1484136853E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.2151036319E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2151036319E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6239238833E-01

 Crystal Tensor_qq(ke,je,1,1)
  5.6892109695E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5056135871E-03  3.7412498718E-04
  0.0000000000E+00  3.7412498718E-04 -6.9285981249E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.5974122783E-03  3.7412498718E-04
  4.5974122783E-03  0.0000000000E+00  0.0000000000E+00
  3.7412498718E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.7412498718E-04  5.3257911804E-03
  3.7412498718E-04  0.0000000000E+00  0.0000000000E+00
  5.3257911804E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.5974122783E-03  3.7412498718E-04
  4.5974122783E-03  0.0000000000E+00  0.0000000000E+00
  3.7412498718E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.5056135871E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.6892109695E-03 -3.7412498718E-04
  0.0000000000E+00 -3.7412498718E-04 -6.9285981249E-04

 Crystal Tensor_qq(ke,je,3,2)
  3.7412498718E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7412498718E-04  5.3257911804E-03
  0.0000000000E+00  5.3257911804E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.7412498718E-04  5.3257911804E-03
  3.7412498718E-04  0.0000000000E+00  0.0000000000E+00
  5.3257911804E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.7412498718E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7412498718E-04  5.3257911804E-03
  0.0000000000E+00  5.3257911804E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -6.9285981249E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.9285981249E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8890482112E-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  4.26108E-01  4.26108E-01  4.26836E-01  3.94192E-01  3.67718E-01  3.94192E-01  4.06065E-01
   dip-dip  4.21510E-01  4.21510E-01  4.21510E-01  3.91951E-01  3.62392E-01  3.91951E-01  4.01804E-01
   qua-qua  4.59741E-03  4.59741E-03  5.32579E-03  2.24099E-03  5.32579E-03  2.24099E-03  4.26039E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.23905E-02  1.03677E-16 -3.97208E-02  6.51828E-17
   dip-dip  0.00000E+00  1.16709E-16  0.00000E+00  9.57583E-17
   qua-qua -1.23905E-02 -1.30312E-17 -3.97208E-02 -3.05755E-17

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

 Energ = -12.90000 eV

 Vmoy = -19.94061 eV, Vmftabs = -23.36896 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.717E-05  6.133E-07    1.898E-02 -6.780E-04    3.555E-03 -1.271E-04
  1  0    1  1      2.903E-03 -5.421E-05   -7.429E-02  1.388E-03   -8.418E-03  1.575E-04
  2  0    1  1      8.176E-04 -2.782E-05   -3.420E-02  1.164E-03   -6.542E-03  2.227E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.4969929067E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.4969929067E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2088780758E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  8.3719632458E-04  0.0000000000E+00  3.1528343376E-04
  0.0000000000E+00 -5.2333372236E-04  9.9127938369E-05
  3.1528343376E-04  9.9127938369E-05 -9.1170880186E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.8026502347E-04  9.9127938369E-05
  6.8026502347E-04  0.0000000000E+00 -3.1528343376E-04
  9.9127938369E-05 -3.1528343376E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  3.1528343376E-04  9.9127938369E-05  7.6891618187E-04
  9.9127938369E-05 -3.1528343376E-04  0.0000000000E+00
  7.6891618187E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.8026502347E-04  9.9127938369E-05
  6.8026502347E-04  0.0000000000E+00 -3.1528343376E-04
  9.9127938369E-05 -3.1528343376E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -5.2333372236E-04  0.0000000000E+00 -3.1528343376E-04
  0.0000000000E+00  8.3719632458E-04 -9.9127938369E-05
 -3.1528343376E-04 -9.9127938369E-05 -9.1170880186E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  9.9127938369E-05 -3.1528343376E-04  0.0000000000E+00
 -3.1528343376E-04 -9.9127938369E-05  7.6891618187E-04
  0.0000000000E+00  7.6891618187E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  3.1528343376E-04  9.9127938369E-05  7.6891618187E-04
  9.9127938369E-05 -3.1528343376E-04  0.0000000000E+00
  7.6891618187E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  9.9127938369E-05 -3.1528343376E-04  0.0000000000E+00
 -3.1528343376E-04 -9.9127938369E-05  7.6891618187E-04
  0.0000000000E+00  7.6891618187E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -9.1170880186E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.1170880186E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5873341275E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.4981957440E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4981957440E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5253268455E-01

 Crystal Tensor_qq(ke,je,1,1)
  5.0231779475E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1400023342E-03  5.9476763021E-04
  0.0000000000E+00  5.9476763021E-04 -5.4702528112E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.0815901408E-03  5.9476763021E-04
  4.0815901408E-03  0.0000000000E+00  0.0000000000E+00
  5.9476763021E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  5.9476763021E-04  4.6134970912E-03
  5.9476763021E-04  0.0000000000E+00  0.0000000000E+00
  4.6134970912E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.0815901408E-03  5.9476763021E-04
  4.0815901408E-03  0.0000000000E+00  0.0000000000E+00
  5.9476763021E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.1400023342E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0231779475E-03 -5.9476763021E-04
  0.0000000000E+00 -5.9476763021E-04 -5.4702528112E-04

 Crystal Tensor_qq(ke,je,3,2)
  5.9476763021E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.9476763021E-04  4.6134970912E-03
  0.0000000000E+00  4.6134970912E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  5.9476763021E-04  4.6134970912E-03
  5.9476763021E-04  0.0000000000E+00  0.0000000000E+00
  4.6134970912E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  5.9476763021E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.9476763021E-04  4.6134970912E-03
  0.0000000000E+00  4.6134970912E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.4702528112E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.4702528112E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5524004765E-03

 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  4.53901E-01  4.53901E-01  4.54433E-01  3.53094E-01  2.57146E-01  3.53094E-01  3.87775E-01
   dip-dip  4.49820E-01  4.49820E-01  4.49820E-01  3.51176E-01  2.52533E-01  3.51176E-01  3.84057E-01
   qua-qua  4.08159E-03  4.08159E-03  4.61350E-03  1.91741E-03  4.61350E-03  1.91741E-03  3.71724E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.68683E-02  3.71637E-16 -5.40757E-02  2.77802E-16
   dip-dip  0.00000E+00  3.89482E-16  0.00000E+00  3.19566E-16
   qua-qua -1.68683E-02 -1.78449E-17 -5.40757E-02 -4.17646E-17

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

 Energ = -12.80000 eV

 Vmoy = -19.94362 eV, Vmftabs = -23.37002 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.650E-05  5.689E-07    1.824E-02 -6.288E-04    3.417E-03 -1.179E-04
  1  0    1  1      2.855E-03 -5.105E-05   -7.306E-02  1.307E-03   -8.279E-03  1.483E-04
  2  0    1  1      7.899E-04 -2.588E-05   -3.304E-02  1.083E-03   -6.320E-03  2.072E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.6555837532E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6555837532E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0461818604E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  7.1980808299E-04  0.0000000000E+00  3.2493010652E-04
  0.0000000000E+00 -4.4461625623E-04  1.0989187271E-04
  3.2493010652E-04  1.0989187271E-04 -7.4773705766E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.8221216961E-04  1.0989187271E-04
  5.8221216961E-04  0.0000000000E+00 -3.2493010652E-04
  1.0989187271E-04 -3.2493010652E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  3.2493010652E-04  1.0989187271E-04  6.6131717066E-04
  1.0989187271E-04 -3.2493010652E-04  0.0000000000E+00
  6.6131717066E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.8221216961E-04  1.0989187271E-04
  5.8221216961E-04  0.0000000000E+00 -3.2493010652E-04
  1.0989187271E-04 -3.2493010652E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.4461625623E-04  0.0000000000E+00 -3.2493010652E-04
  0.0000000000E+00  7.1980808299E-04 -1.0989187271E-04
 -3.2493010652E-04 -1.0989187271E-04 -7.4773705766E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.0989187271E-04 -3.2493010652E-04  0.0000000000E+00
 -3.2493010652E-04 -1.0989187271E-04  6.6131717066E-04
  0.0000000000E+00  6.6131717066E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  3.2493010652E-04  1.0989187271E-04  6.6131717066E-04
  1.0989187271E-04 -3.2493010652E-04  0.0000000000E+00
  6.6131717066E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.0989187271E-04 -3.2493010652E-04  0.0000000000E+00
 -3.2493010652E-04 -1.0989187271E-04  6.6131717066E-04
  0.0000000000E+00  6.6131717066E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -7.4773705766E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.4773705766E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2020316865E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.9933502519E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9933502519E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8277091163E-01

 Crystal Tensor_qq(ke,je,1,1)
  4.3188484979E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6676975374E-03  6.5935123627E-04
  0.0000000000E+00  6.5935123627E-04 -4.4864223460E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.4932730176E-03  6.5935123627E-04
  3.4932730176E-03  0.0000000000E+00  0.0000000000E+00
  6.5935123627E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  6.5935123627E-04  3.9679030240E-03
  6.5935123627E-04  0.0000000000E+00  0.0000000000E+00
  3.9679030240E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.4932730176E-03  6.5935123627E-04
  3.4932730176E-03  0.0000000000E+00  0.0000000000E+00
  6.5935123627E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.6676975374E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3188484979E-03 -6.5935123627E-04
  0.0000000000E+00 -6.5935123627E-04 -4.4864223460E-04

 Crystal Tensor_qq(ke,je,3,2)
  6.5935123627E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.5935123627E-04  3.9679030240E-03
  0.0000000000E+00  3.9679030240E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  6.5935123627E-04  3.9679030240E-03
  6.5935123627E-04  0.0000000000E+00  0.0000000000E+00
  3.9679030240E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  6.5935123627E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.5935123627E-04  3.9679030240E-03
  0.0000000000E+00  3.9679030240E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.4864223460E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4864223460E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3212190119E-03

 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  4.02828E-01  4.02828E-01  4.03303E-01  2.92687E-01  1.86739E-01  2.92687E-01  3.30334E-01
   dip-dip  3.99335E-01  3.99335E-01  3.99335E-01  2.91053E-01  1.82771E-01  2.91053E-01  3.27147E-01
   qua-qua  3.49327E-03  3.49327E-03  3.96790E-03  1.63434E-03  3.96790E-03  1.63434E-03  3.18741E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.73846E-02  4.08873E-16 -5.57309E-02  3.07608E-16
   dip-dip  0.00000E+00  4.27544E-16  0.00000E+00  3.50796E-16
   qua-qua -1.73846E-02 -1.86710E-17 -5.57309E-02 -4.31881E-17

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

 Energ = -12.70000 eV

 Vmoy = -19.94639 eV, Vmftabs = -23.37107 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.588E-05  5.292E-07    1.756E-02 -5.850E-04    3.289E-03 -1.096E-04
  1  0    1  1      2.810E-03 -4.814E-05   -7.190E-02  1.233E-03   -8.147E-03  1.399E-04
  2  0    1  1      7.642E-04 -2.413E-05   -3.197E-02  1.010E-03   -6.115E-03  1.932E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.2058299052E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2058299052E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3363862412E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  6.1148426510E-04  0.0000000000E+00  2.9762015965E-04
  0.0000000000E+00 -3.6640894384E-04  1.0522072196E-04
  2.9762015965E-04  1.0522072196E-04 -6.3637563524E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.8894660447E-04  1.0522072196E-04
  4.8894660447E-04  0.0000000000E+00 -2.9762015965E-04
  1.0522072196E-04 -2.9762015965E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.9762015965E-04  1.0522072196E-04  5.6238907774E-04
  1.0522072196E-04 -2.9762015965E-04  0.0000000000E+00
  5.6238907774E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.8894660447E-04  1.0522072196E-04
  4.8894660447E-04  0.0000000000E+00 -2.9762015965E-04
  1.0522072196E-04 -2.9762015965E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.6640894384E-04  0.0000000000E+00 -2.9762015965E-04
  0.0000000000E+00  6.1148426510E-04 -1.0522072196E-04
 -2.9762015965E-04 -1.0522072196E-04 -6.3637563524E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.0522072196E-04 -2.9762015965E-04  0.0000000000E+00
 -2.9762015965E-04 -1.0522072196E-04  5.6238907774E-04
  0.0000000000E+00  5.6238907774E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.9762015965E-04  1.0522072196E-04  5.6238907774E-04
  1.0522072196E-04 -2.9762015965E-04  0.0000000000E+00
  5.6238907774E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.0522072196E-04 -2.9762015965E-04  0.0000000000E+00
 -2.9762015965E-04 -1.0522072196E-04  5.6238907774E-04
  0.0000000000E+00  5.6238907774E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.3637563524E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3637563524E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9305629168E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.1234979431E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1234979431E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4018317447E-01

 Crystal Tensor_qq(ke,je,1,1)
  3.6689055906E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1984536630E-03  6.3132433178E-04
  0.0000000000E+00  6.3132433178E-04 -3.8182538114E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.9336796268E-03  6.3132433178E-04
  2.9336796268E-03  0.0000000000E+00  0.0000000000E+00
  6.3132433178E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  6.3132433178E-04  3.3743344665E-03
  6.3132433178E-04  0.0000000000E+00  0.0000000000E+00
  3.3743344665E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.9336796268E-03  6.3132433178E-04
  2.9336796268E-03  0.0000000000E+00  0.0000000000E+00
  6.3132433178E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.1984536630E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6689055906E-03 -6.3132433178E-04
  0.0000000000E+00 -6.3132433178E-04 -3.8182538114E-04

 Crystal Tensor_qq(ke,je,3,2)
  6.3132433178E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3132433178E-04  3.3743344665E-03
  0.0000000000E+00  3.3743344665E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  6.3132433178E-04  3.3743344665E-03
  6.3132433178E-04  0.0000000000E+00  0.0000000000E+00
  3.3743344665E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  6.3132433178E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3132433178E-04  3.3743344665E-03
  0.0000000000E+00  3.3743344665E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.8182538114E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8182538114E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1583377501E-03

 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  3.15283E-01  3.15283E-01  3.15724E-01  2.27664E-01  1.43558E-01  2.27664E-01  2.57661E-01
   dip-dip  3.12350E-01  3.12350E-01  3.12350E-01  2.26266E-01  1.40183E-01  2.26266E-01  2.54961E-01
   qua-qua  2.93368E-03  2.93368E-03  3.37433E-03  1.39772E-03  3.37433E-03  1.39772E-03  2.70035E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.59237E-02  3.22569E-16 -5.10475E-02  2.39220E-16
   dip-dip  0.00000E+00  3.39898E-16  0.00000E+00  2.78883E-16
   qua-qua -1.59237E-02 -1.73296E-17 -5.10475E-02 -3.96639E-17

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

 Energ = -12.60000 eV

 Vmoy = -19.94920 eV, Vmftabs = -23.37212 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.530E-05  4.934E-07    1.692E-02 -5.454E-04    3.169E-03 -1.022E-04
  1  0    1  1      2.767E-03 -4.546E-05   -7.081E-02  1.164E-03   -8.024E-03  1.321E-04
  2  0    1  1      7.401E-04 -2.255E-05   -3.096E-02  9.434E-04   -5.922E-03  1.805E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.8725343656E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8725343656E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8986641612E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  5.2022629574E-04  0.0000000000E+00  2.5932755146E-04
  0.0000000000E+00 -2.9890057092E-04  9.4528195675E-05
  2.5932755146E-04  9.4528195675E-05 -5.6028221713E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.0956343333E-04  9.4528195675E-05
  4.0956343333E-04  0.0000000000E+00 -2.5932755146E-04
  9.4528195675E-05 -2.5932755146E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.5932755146E-04  9.4528195675E-05  4.7674426994E-04
  9.4528195675E-05 -2.5932755146E-04  0.0000000000E+00
  4.7674426994E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.0956343333E-04  9.4528195675E-05
  4.0956343333E-04  0.0000000000E+00 -2.5932755146E-04
  9.4528195675E-05 -2.5932755146E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.9890057092E-04  0.0000000000E+00 -2.5932755146E-04
  0.0000000000E+00  5.2022629574E-04 -9.4528195675E-05
 -2.5932755146E-04 -9.4528195675E-05 -5.6028221713E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  9.4528195675E-05 -2.5932755146E-04  0.0000000000E+00
 -2.5932755146E-04 -9.4528195675E-05  4.7674426994E-04
  0.0000000000E+00  4.7674426994E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.5932755146E-04  9.4528195675E-05  4.7674426994E-04
  9.4528195675E-05 -2.5932755146E-04  0.0000000000E+00
  4.7674426994E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  9.4528195675E-05 -2.5932755146E-04  0.0000000000E+00
 -2.5932755146E-04 -9.4528195675E-05  4.7674426994E-04
  0.0000000000E+00  4.7674426994E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.6028221713E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6028221713E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7350032037E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.3235206194E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3235206194E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1391984967E-01

 Crystal Tensor_qq(ke,je,1,1)
  3.1213577744E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7934034255E-03  5.6716917405E-04
  0.0000000000E+00  5.6716917405E-04 -3.3616933028E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.4573806000E-03  5.6716917405E-04
  2.4573806000E-03  0.0000000000E+00  0.0000000000E+00
  5.6716917405E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  5.6716917405E-04  2.8604656196E-03
  5.6716917405E-04  0.0000000000E+00  0.0000000000E+00
  2.8604656196E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.4573806000E-03  5.6716917405E-04
  2.4573806000E-03  0.0000000000E+00  0.0000000000E+00
  5.6716917405E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.7934034255E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1213577744E-03 -5.6716917405E-04
  0.0000000000E+00 -5.6716917405E-04 -3.3616933028E-04

 Crystal Tensor_qq(ke,je,3,2)
  5.6716917405E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6716917405E-04  2.8604656196E-03
  0.0000000000E+00  2.8604656196E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  5.6716917405E-04  2.8604656196E-03
  5.6716917405E-04  0.0000000000E+00  0.0000000000E+00
  2.8604656196E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  5.6716917405E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6716917405E-04  2.8604656196E-03
  0.0000000000E+00  2.8604656196E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.3616933028E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3616933028E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0410019222E-03

 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  2.34809E-01  2.34809E-01  2.35213E-01  1.74345E-01  1.16780E-01  1.74345E-01  1.95160E-01
   dip-dip  2.32352E-01  2.32352E-01  2.32352E-01  1.73136E-01  1.13920E-01  1.73136E-01  1.92875E-01
   qua-qua  2.45738E-03  2.45738E-03  2.86047E-03  1.20867E-03  2.86047E-03  1.20867E-03  2.28563E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.38751E-02  2.18555E-16 -4.44802E-02  1.57212E-16
   dip-dip  0.00000E+00  2.33817E-16  0.00000E+00  1.91844E-16
   qua-qua -1.38751E-02 -1.52616E-17 -4.44802E-02 -3.46326E-17

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

 Energ = -12.50000 eV

 Vmoy = -19.95202 eV, Vmftabs = -23.37316 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.476E-05  4.609E-07    1.632E-02 -5.095E-04    3.058E-03 -9.549E-05
  1  0    1  1      2.727E-03 -4.299E-05   -6.980E-02  1.101E-03   -7.909E-03  1.249E-04
  2  0    1  1      7.177E-04 -2.111E-05   -3.002E-02  8.832E-04   -5.742E-03  1.690E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.8777422893E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8777422893E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6261327163E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  4.4728966121E-04  0.0000000000E+00  2.2216407644E-04
  0.0000000000E+00 -2.4489168624E-04  8.2843143619E-05
  2.2216407644E-04  8.2843143619E-05 -5.0852188576E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.4609067373E-04  8.2843143619E-05
  3.4609067373E-04  0.0000000000E+00 -2.2216407644E-04
  8.2843143619E-05 -2.2216407644E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.2216407644E-04  8.2843143619E-05  4.0649166248E-04
  8.2843143619E-05 -2.2216407644E-04  0.0000000000E+00
  4.0649166248E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.4609067373E-04  8.2843143619E-05
  3.4609067373E-04  0.0000000000E+00 -2.2216407644E-04
  8.2843143619E-05 -2.2216407644E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.4489168624E-04  0.0000000000E+00 -2.2216407644E-04
  0.0000000000E+00  4.4728966121E-04 -8.2843143619E-05
 -2.2216407644E-04 -8.2843143619E-05 -5.0852188576E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  8.2843143619E-05 -2.2216407644E-04  0.0000000000E+00
 -2.2216407644E-04 -8.2843143619E-05  4.0649166248E-04
  0.0000000000E+00  4.0649166248E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.2216407644E-04  8.2843143619E-05  4.0649166248E-04
  8.2843143619E-05 -2.2216407644E-04  0.0000000000E+00
  4.0649166248E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  8.2843143619E-05 -2.2216407644E-04  0.0000000000E+00
 -2.2216407644E-04 -8.2843143619E-05  4.0649166248E-04
  0.0000000000E+00  4.0649166248E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.0852188576E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.0852188576E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5921444296E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.7266453736E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7266453736E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.7567962981E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.6837379672E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4693501175E-03  4.9705886172E-04
  0.0000000000E+00  4.9705886172E-04 -3.0511313146E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.0765440424E-03  4.9705886172E-04
  2.0765440424E-03  0.0000000000E+00  0.0000000000E+00
  4.9705886172E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.9705886172E-04  2.4389499749E-03
  4.9705886172E-04  0.0000000000E+00  0.0000000000E+00
  2.4389499749E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.0765440424E-03  4.9705886172E-04
  2.0765440424E-03  0.0000000000E+00  0.0000000000E+00
  4.9705886172E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.4693501175E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6837379672E-03 -4.9705886172E-04
  0.0000000000E+00 -4.9705886172E-04 -3.0511313146E-04

 Crystal Tensor_qq(ke,je,3,2)
  4.9705886172E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9705886172E-04  2.4389499749E-03
  0.0000000000E+00  2.4389499749E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.9705886172E-04  2.4389499749E-03
  4.9705886172E-04  0.0000000000E+00  0.0000000000E+00
  2.4389499749E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.9705886172E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9705886172E-04  2.4389499749E-03
  0.0000000000E+00  2.4389499749E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.0511313146E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0511313146E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.5528665777E-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  1.74741E-01  1.74741E-01  1.75103E-01  1.36179E-01  1.00007E-01  1.36179E-01  1.49583E-01
   dip-dip  1.72665E-01  1.72665E-01  1.72665E-01  1.35116E-01  9.75680E-02  1.35116E-01  1.47632E-01
   qua-qua  2.07654E-03  2.07654E-03  2.43895E-03  1.06231E-03  2.43895E-03  1.06231E-03  1.95104E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.18868E-02  1.35077E-16 -3.81063E-02  9.19296E-17
   dip-dip  0.00000E+00  1.48263E-16  0.00000E+00  1.21648E-16
   qua-qua -1.18868E-02 -1.31860E-17 -3.81063E-02 -2.97185E-17

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

 Energ = -12.40000 eV

 Vmoy = -19.95490 eV, Vmftabs = -23.37419 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.426E-05  4.314E-07    1.576E-02 -4.769E-04    2.953E-03 -8.937E-05
  1  0    1  1      2.690E-03 -4.070E-05   -6.884E-02  1.043E-03   -7.801E-03  1.183E-04
  2  0    1  1      6.966E-04 -1.980E-05   -2.914E-02  8.284E-04   -5.574E-03  1.585E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1869929622E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1869929622E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4578664508E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  3.9033430335E-04  0.0000000000E+00  1.9011733505E-04
  0.0000000000E+00 -2.0315393581E-04  7.2168024801E-05
  1.9011733505E-04  7.2168024801E-05 -4.7403616480E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.9674411958E-04  7.2168024801E-05
  2.9674411958E-04  0.0000000000E+00 -1.9011733505E-04
  7.2168024801E-05 -1.9011733505E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.9011733505E-04  7.2168024801E-05  3.5050954001E-04
  7.2168024801E-05 -1.9011733505E-04  0.0000000000E+00
  3.5050954001E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.9674411958E-04  7.2168024801E-05
  2.9674411958E-04  0.0000000000E+00 -1.9011733505E-04
  7.2168024801E-05 -1.9011733505E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.0315393581E-04  0.0000000000E+00 -1.9011733505E-04
  0.0000000000E+00  3.9033430335E-04 -7.2168024801E-05
 -1.9011733505E-04 -7.2168024801E-05 -4.7403616480E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  7.2168024801E-05 -1.9011733505E-04  0.0000000000E+00
 -1.9011733505E-04 -7.2168024801E-05  3.5050954001E-04
  0.0000000000E+00  3.5050954001E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.9011733505E-04  7.2168024801E-05  3.5050954001E-04
  7.2168024801E-05 -1.9011733505E-04  0.0000000000E+00
  3.5050954001E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.2168024801E-05 -1.9011733505E-04  0.0000000000E+00
 -1.9011733505E-04 -7.2168024801E-05  3.5050954001E-04
  0.0000000000E+00  3.5050954001E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.7403616480E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7403616480E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4872079738E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3121957773E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3121957773E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.7471987048E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.3420058201E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2189236148E-03  4.3300814881E-04
  0.0000000000E+00  4.3300814881E-04 -2.8442169888E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.7804647175E-03  4.3300814881E-04
  1.7804647175E-03  0.0000000000E+00  0.0000000000E+00
  4.3300814881E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.3300814881E-04  2.1030572400E-03
  4.3300814881E-04  0.0000000000E+00  0.0000000000E+00
  2.1030572400E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.7804647175E-03  4.3300814881E-04
  1.7804647175E-03  0.0000000000E+00  0.0000000000E+00
  4.3300814881E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.2189236148E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3420058201E-03 -4.3300814881E-04
  0.0000000000E+00 -4.3300814881E-04 -2.8442169888E-04

 Crystal Tensor_qq(ke,je,3,2)
  4.3300814881E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3300814881E-04  2.1030572400E-03
  0.0000000000E+00  2.1030572400E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.3300814881E-04  2.1030572400E-03
  4.3300814881E-04  0.0000000000E+00  0.0000000000E+00
  2.1030572400E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.3300814881E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3300814881E-04  2.1030572400E-03
  0.0000000000E+00  2.1030572400E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.8442169888E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8442169888E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.9232478427E-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  1.33000E-01  1.33000E-01  1.33323E-01  1.10297E-01  8.95750E-02  1.10297E-01  1.18325E-01
   dip-dip  1.31220E-01  1.31220E-01  1.31220E-01  1.09346E-01  8.74720E-02  1.09346E-01  1.16637E-01
   qua-qua  1.78046E-03  1.78046E-03  2.10306E-03  9.50794E-04  2.10306E-03  9.50794E-04  1.68826E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.01723E-02  7.50103E-17 -3.26100E-02  4.54016E-17
   dip-dip  0.00000E+00  8.63717E-17  0.00000E+00  7.08671E-17
   qua-qua -1.01723E-02 -1.13613E-17 -3.26100E-02 -2.54655E-17

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

 Energ = -12.30000 eV

 Vmoy = -19.95791 eV, Vmftabs = -23.37521 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.378E-05  4.043E-07    1.524E-02 -4.470E-04    2.855E-03 -8.377E-05
  1  0    1  1      2.655E-03 -3.858E-05   -6.795E-02  9.882E-04   -7.700E-03  1.121E-04
  2  0    1  1      6.768E-04 -1.860E-05   -2.831E-02  7.783E-04   -5.415E-03  1.489E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.7207366818E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7207366818E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3583146280E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  3.4615371212E-04  0.0000000000E+00  1.6368437862E-04
  0.0000000000E+00 -1.7128064086E-04  6.3044201303E-05
  1.6368437862E-04  6.3044201303E-05 -4.5221560453E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.5871717649E-04  6.3044201303E-05
  2.5871717649E-04  0.0000000000E+00 -1.6368437862E-04
  6.3044201303E-05 -1.6368437862E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.6368437862E-04  6.3044201303E-05  3.0638767910E-04
  6.3044201303E-05 -1.6368437862E-04  0.0000000000E+00
  3.0638767910E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.5871717649E-04  6.3044201303E-05
  2.5871717649E-04  0.0000000000E+00 -1.6368437862E-04
  6.3044201303E-05 -1.6368437862E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.7128064086E-04  0.0000000000E+00 -1.6368437862E-04
  0.0000000000E+00  3.4615371212E-04 -6.3044201303E-05
 -1.6368437862E-04 -6.3044201303E-05 -4.5221560453E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  6.3044201303E-05 -1.6368437862E-04  0.0000000000E+00
 -1.6368437862E-04 -6.3044201303E-05  3.0638767910E-04
  0.0000000000E+00  3.0638767910E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.6368437862E-04  6.3044201303E-05  3.0638767910E-04
  6.3044201303E-05 -1.6368437862E-04  0.0000000000E+00
  3.0638767910E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  6.3044201303E-05 -1.6368437862E-04  0.0000000000E+00
 -1.6368437862E-04 -6.3044201303E-05  3.0638767910E-04
  0.0000000000E+00  3.0638767910E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.5221560453E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.5221560453E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4105576488E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0324420091E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0324420091E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.1498877679E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.0769222727E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0276838452E-03  3.7826520782E-04
  0.0000000000E+00  3.7826520782E-04 -2.7132936272E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.5523030590E-03  3.7826520782E-04
  1.5523030590E-03  0.0000000000E+00  0.0000000000E+00
  3.7826520782E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.7826520782E-04  1.8383260746E-03
  3.7826520782E-04  0.0000000000E+00  0.0000000000E+00
  1.8383260746E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.5523030590E-03  3.7826520782E-04
  1.5523030590E-03  0.0000000000E+00  0.0000000000E+00
  3.7826520782E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.0276838452E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0769222727E-03 -3.7826520782E-04
  0.0000000000E+00 -3.7826520782E-04 -2.7132936272E-04

 Crystal Tensor_qq(ke,je,3,2)
  3.7826520782E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7826520782E-04  1.8383260746E-03
  0.0000000000E+00  1.8383260746E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.7826520782E-04  1.8383260746E-03
  3.7826520782E-04  0.0000000000E+00  0.0000000000E+00
  1.8383260746E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.7826520782E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7826520782E-04  1.8383260746E-03
  0.0000000000E+00  1.8383260746E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.7132936272E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.7132936272E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.4633458926E-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  1.04797E-01  1.04797E-01  1.05083E-01  9.32380E-02  8.33372E-02  9.32380E-02  9.74796E-02
   dip-dip  1.03244E-01  1.03244E-01  1.03244E-01  9.23715E-02  8.14989E-02  9.23715E-02  9.59958E-02
   qua-qua  1.55230E-03  1.55230E-03  1.83833E-03  8.66479E-04  1.83833E-03  8.66479E-04  1.48383E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -8.75812E-03  3.30966E-17 -2.80764E-02  1.32770E-17
   dip-dip  0.00000E+00  4.29327E-17  0.00000E+00  3.52259E-17
   qua-qua -8.75812E-03 -9.83614E-18 -2.80764E-02 -2.19489E-17

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

 Energ = -12.20000 eV

 Vmoy = -19.96080 eV, Vmftabs = -23.37623 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.334E-05  3.798E-07    1.475E-02 -4.198E-04    2.763E-03 -7.869E-05
  1  0    1  1      2.623E-03 -3.661E-05   -6.711E-02  9.377E-04   -7.604E-03  1.064E-04
  2  0    1  1      6.582E-04 -1.750E-05   -2.753E-02  7.324E-04   -5.266E-03  1.402E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4193362541E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4193362541E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3055054611E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  3.1186363200E-04  0.0000000000E+00  1.4218355972E-04
  0.0000000000E+00 -1.4695800967E-04  5.5436220310E-05
  1.4218355972E-04  5.5436220310E-05 -4.4007172409E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.2941082083E-04  5.5436220310E-05
  2.2941082083E-04  0.0000000000E+00 -1.4218355972E-04
  5.5436220310E-05 -1.4218355972E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.4218355972E-04  5.5436220310E-05  2.7165103726E-04
  5.5436220310E-05 -1.4218355972E-04  0.0000000000E+00
  2.7165103726E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.2941082083E-04  5.5436220310E-05
  2.2941082083E-04  0.0000000000E+00 -1.4218355972E-04
  5.5436220310E-05 -1.4218355972E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.4695800967E-04  0.0000000000E+00 -1.4218355972E-04
  0.0000000000E+00  3.1186363200E-04 -5.5436220310E-05
 -1.4218355972E-04 -5.5436220310E-05 -4.4007172409E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  5.5436220310E-05 -1.4218355972E-04  0.0000000000E+00
 -1.4218355972E-04 -5.5436220310E-05  2.7165103726E-04
  0.0000000000E+00  2.7165103726E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.4218355972E-04  5.5436220310E-05  2.7165103726E-04
  5.5436220310E-05 -1.4218355972E-04  0.0000000000E+00
  2.7165103726E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  5.5436220310E-05 -1.4218355972E-04  0.0000000000E+00
 -1.4218355972E-04 -5.5436220310E-05  2.7165103726E-04
  0.0000000000E+00  2.7165103726E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.4007172409E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4007172409E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3558312575E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.5160175246E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5160175246E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.8330327665E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.8711817920E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.8174805803E-04  3.3261732186E-04
  0.0000000000E+00  3.3261732186E-04 -2.6404303446E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.3764649250E-03  3.3261732186E-04
  1.3764649250E-03  0.0000000000E+00  0.0000000000E+00
  3.3261732186E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.3261732186E-04  1.6299062236E-03
  3.3261732186E-04  0.0000000000E+00  0.0000000000E+00
  1.6299062236E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.3764649250E-03  3.3261732186E-04
  1.3764649250E-03  0.0000000000E+00  0.0000000000E+00
  3.3261732186E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -8.8174805803E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8711817920E-03 -3.3261732186E-04
  0.0000000000E+00 -3.3261732186E-04 -2.6404303446E-04

 Crystal Tensor_qq(ke,je,3,2)
  3.3261732186E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3261732186E-04  1.6299062236E-03
  0.0000000000E+00  1.6299062236E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.3261732186E-04  1.6299062236E-03
  3.3261732186E-04  0.0000000000E+00  0.0000000000E+00
  1.6299062236E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.3261732186E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3261732186E-04  1.6299062236E-03
  0.0000000000E+00  1.6299062236E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.6404303446E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6404303446E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.1349875451E-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  8.65366E-02  8.65366E-02  8.67901E-02  8.25484E-02  7.99602E-02  8.25484E-02  8.42085E-02
   dip-dip  8.51602E-02  8.51602E-02  8.51602E-02  8.17453E-02  7.83303E-02  8.17453E-02  8.28836E-02
   qua-qua  1.37646E-03  1.37646E-03  1.62991E-03  8.03192E-04  1.62991E-03  8.03192E-04  1.32497E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.60779E-03  4.90169E-18 -2.43888E-02 -8.01910E-18
   dip-dip  0.00000E+00  1.34846E-17  0.00000E+00  1.10640E-17
   qua-qua -7.60779E-03 -8.58295E-18 -2.43888E-02 -1.90831E-17

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

 Energ = -12.10000 eV

 Vmoy = -19.96365 eV, Vmftabs = -23.37724 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.292E-05  3.573E-07    1.428E-02 -3.950E-04    2.676E-03 -7.403E-05
  1  0    1  1      2.592E-03 -3.477E-05   -6.632E-02  8.906E-04   -7.515E-03  1.011E-04
  2  0    1  1      6.406E-04 -1.650E-05   -2.680E-02  6.904E-04   -5.126E-03  1.321E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.2520738922E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2520738922E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2846007717E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.8515210656E-04  0.0000000000E+00  1.2468238356E-04
  0.0000000000E+00 -1.2830147895E-04  4.9125801975E-05
  1.2468238356E-04  4.9125801975E-05 -4.3557871084E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.0672679275E-04  4.9125801975E-05
  2.0672679275E-04  0.0000000000E+00 -1.2468238356E-04
  4.9125801975E-05 -1.2468238356E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.2468238356E-04  4.9125801975E-05  2.4418929460E-04
  4.9125801975E-05 -1.2468238356E-04  0.0000000000E+00
  2.4418929460E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.0672679275E-04  4.9125801975E-05
  2.0672679275E-04  0.0000000000E+00 -1.2468238356E-04
  4.9125801975E-05 -1.2468238356E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.2830147895E-04  0.0000000000E+00 -1.2468238356E-04
  0.0000000000E+00  2.8515210656E-04 -4.9125801975E-05
 -1.2468238356E-04 -4.9125801975E-05 -4.3557871084E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  4.9125801975E-05 -1.2468238356E-04  0.0000000000E+00
 -1.2468238356E-04 -4.9125801975E-05  2.4418929460E-04
  0.0000000000E+00  2.4418929460E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.2468238356E-04  4.9125801975E-05  2.4418929460E-04
  4.9125801975E-05 -1.2468238356E-04  0.0000000000E+00
  2.4418929460E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.9125801975E-05 -1.2468238356E-04  0.0000000000E+00
 -1.2468238356E-04 -4.9125801975E-05  2.4418929460E-04
  0.0000000000E+00  2.4418929460E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.3557871084E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3557871084E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3186726815E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  7.5124433530E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5124433530E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7076046303E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.7109126393E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.6980887367E-04  2.9475481185E-04
  0.0000000000E+00  2.9475481185E-04 -2.6134722651E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2403607565E-03  2.9475481185E-04
  1.2403607565E-03  0.0000000000E+00  0.0000000000E+00
  2.9475481185E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.9475481185E-04  1.4651357676E-03
  2.9475481185E-04  0.0000000000E+00  0.0000000000E+00
  1.4651357676E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2403607565E-03  2.9475481185E-04
  1.2403607565E-03  0.0000000000E+00  0.0000000000E+00
  2.9475481185E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -7.6980887367E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7109126393E-03 -2.9475481185E-04
  0.0000000000E+00 -2.9475481185E-04 -2.6134722651E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.9475481185E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9475481185E-04  1.4651357676E-03
  0.0000000000E+00  1.4651357676E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.9475481185E-04  1.4651357676E-03
  2.9475481185E-04  0.0000000000E+00  0.0000000000E+00
  1.4651357676E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.9475481185E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9475481185E-04  1.4651357676E-03
  0.0000000000E+00  1.4651357676E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.6134722651E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6134722651E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.9120360890E-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  7.63648E-02  7.63648E-02  7.65896E-02  7.68564E-02  7.85412E-02  7.68564E-02  7.69761E-02
   dip-dip  7.51244E-02  7.51244E-02  7.51244E-02  7.61002E-02  7.70760E-02  7.61002E-02  7.57750E-02
   qua-qua  1.24036E-03  1.24036E-03  1.46514E-03  7.56203E-04  1.46514E-03  7.56203E-04  1.20116E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.67145E-03 -1.14077E-17 -2.13871E-02 -1.99085E-17
   dip-dip  0.00000E+00 -3.85325E-18  0.00000E+00 -3.16156E-18
   qua-qua -6.67145E-03 -7.55449E-18 -2.13871E-02 -1.67469E-17

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

 Energ = -12.00000 eV

 Vmoy = -19.96639 eV, Vmftabs = -23.37824 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.253E-05  3.368E-07    1.385E-02 -3.723E-04    2.595E-03 -6.978E-05
  1  0    1  1      2.563E-03 -3.305E-05   -6.558E-02  8.466E-04   -7.430E-03  9.609E-05
  2  0    1  1      6.241E-04 -1.557E-05   -2.611E-02  6.517E-04   -4.994E-03  1.247E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1950274840E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1950274840E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2845283154E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.6429149802E-04  0.0000000000E+00  1.1032504867E-04
  0.0000000000E+00 -1.1389661074E-04  4.3868551164E-05
  1.1032504867E-04  4.3868551164E-05 -4.3741058198E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.8909405438E-04  4.3868551164E-05
  1.8909405438E-04  0.0000000000E+00 -1.1032504867E-04
  4.3868551164E-05 -1.1032504867E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.1032504867E-04  4.3868551164E-05  2.2235332935E-04
  4.3868551164E-05 -1.1032504867E-04  0.0000000000E+00
  2.2235332935E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.8909405438E-04  4.3868551164E-05
  1.8909405438E-04  0.0000000000E+00 -1.1032504867E-04
  4.3868551164E-05 -1.1032504867E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.1389661074E-04  0.0000000000E+00 -1.1032504867E-04
  0.0000000000E+00  2.6429149802E-04 -4.3868551164E-05
 -1.1032504867E-04 -4.3868551164E-05 -4.3741058198E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  4.3868551164E-05 -1.1032504867E-04  0.0000000000E+00
 -1.1032504867E-04 -4.3868551164E-05  2.2235332935E-04
  0.0000000000E+00  2.2235332935E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.1032504867E-04  4.3868551164E-05  2.2235332935E-04
  4.3868551164E-05 -1.1032504867E-04  0.0000000000E+00
  2.2235332935E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.3868551164E-05 -1.1032504867E-04  0.0000000000E+00
 -1.1032504867E-04 -4.3868551164E-05  2.2235332935E-04
  0.0000000000E+00  2.2235332935E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.3741058198E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.3741058198E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2961204284E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  7.1701649041E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1701649041E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7071698924E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.5857489881E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.8337966442E-04  2.6321130698E-04
  0.0000000000E+00  2.6321130698E-04 -2.6244634919E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.1345643263E-03  2.6321130698E-04
  1.1345643263E-03  0.0000000000E+00  0.0000000000E+00
  2.6321130698E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.6321130698E-04  1.3341199761E-03
  2.6321130698E-04  0.0000000000E+00  0.0000000000E+00
  1.3341199761E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.1345643263E-03  2.6321130698E-04
  1.1345643263E-03  0.0000000000E+00  0.0000000000E+00
  2.6321130698E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.8337966442E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5857489881E-03 -2.6321130698E-04
  0.0000000000E+00 -2.6321130698E-04 -2.6244634919E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.6321130698E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6321130698E-04  1.3341199761E-03
  0.0000000000E+00  1.3341199761E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.6321130698E-04  1.3341199761E-03
  2.6321130698E-04  0.0000000000E+00  0.0000000000E+00
  1.3341199761E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.6321130698E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6321130698E-04  1.3341199761E-03
  0.0000000000E+00  1.3341199761E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.6244634919E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6244634919E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7767225704E-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  7.28362E-02  7.28362E-02  7.30358E-02  7.51088E-02  7.84058E-02  7.51088E-02  7.45961E-02
   dip-dip  7.17016E-02  7.17016E-02  7.17016E-02  7.43867E-02  7.70717E-02  7.43867E-02  7.34917E-02
   qua-qua  1.13456E-03  1.13456E-03  1.33412E-03  7.22078E-04  1.33412E-03  7.22078E-04  1.10439E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -5.90330E-03 -1.73075E-17 -1.89246E-02 -2.35274E-17
   dip-dip  0.00000E+00 -1.06027E-17  0.00000E+00 -8.69945E-18
   qua-qua -5.90330E-03 -6.70475E-18 -1.89246E-02 -1.48279E-17

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

 Energ = -11.90000 eV

 Vmoy = -19.96907 eV, Vmftabs = -23.37923 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.216E-05  3.180E-07    1.344E-02 -3.515E-04    2.518E-03 -6.588E-05
  1  0    1  1      2.535E-03 -3.144E-05   -6.487E-02  8.055E-04   -7.351E-03  9.143E-05
  2  0    1  1      6.085E-04 -1.472E-05   -2.545E-02  6.162E-04   -4.869E-03  1.179E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1256056381E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1256056381E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2961647096E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.4802066455E-04  0.0000000000E+00  9.8413086457E-05
  0.0000000000E+00 -1.0271186842E-04  3.9446120656E-05
  9.8413086457E-05  3.9446120656E-05 -4.4471663794E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.7536626648E-04  3.9446120656E-05
  1.7536626648E-04  0.0000000000E+00 -9.8413086457E-05
  3.9446120656E-05 -9.8413086457E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  9.8413086457E-05  3.9446120656E-05  2.0489915957E-04
  3.9446120656E-05 -9.8413086457E-05  0.0000000000E+00
  2.0489915957E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.7536626648E-04  3.9446120656E-05
  1.7536626648E-04  0.0000000000E+00 -9.8413086457E-05
  3.9446120656E-05 -9.8413086457E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.0271186842E-04  0.0000000000E+00 -9.8413086457E-05
  0.0000000000E+00  2.4802066455E-04 -3.9446120656E-05
 -9.8413086457E-05 -3.9446120656E-05 -4.4471663794E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.9446120656E-05 -9.8413086457E-05  0.0000000000E+00
 -9.8413086457E-05 -3.9446120656E-05  2.0489915957E-04
  0.0000000000E+00  2.0489915957E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  9.8413086457E-05  3.9446120656E-05  2.0489915957E-04
  3.9446120656E-05 -9.8413086457E-05  0.0000000000E+00
  2.0489915957E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.9446120656E-05 -9.8413086457E-05  0.0000000000E+00
 -9.8413086457E-05 -3.9446120656E-05  2.0489915957E-04
  0.0000000000E+00  2.0489915957E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.4471663794E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4471663794E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2861972320E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.7536338289E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.7536338289E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7769882579E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.4881239873E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.1627121051E-04  2.3667672394E-04
  0.0000000000E+00  2.3667672394E-04 -2.6682998276E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.0521975989E-03  2.3667672394E-04
  1.0521975989E-03  0.0000000000E+00  0.0000000000E+00
  2.3667672394E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.3667672394E-04  1.2293949574E-03
  2.3667672394E-04  0.0000000000E+00  0.0000000000E+00
  1.2293949574E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.0521975989E-03  2.3667672394E-04
  1.0521975989E-03  0.0000000000E+00  0.0000000000E+00
  2.3667672394E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.1627121051E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4881239873E-03 -2.3667672394E-04
  0.0000000000E+00 -2.3667672394E-04 -2.6682998276E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.3667672394E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3667672394E-04  1.2293949574E-03
  0.0000000000E+00  1.2293949574E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.3667672394E-04  1.2293949574E-03
  2.3667672394E-04  0.0000000000E+00  0.0000000000E+00
  1.2293949574E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.3667672394E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3667672394E-04  1.2293949574E-03
  0.0000000000E+00  1.2293949574E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.6682998276E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6682998276E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7171833922E-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  6.85885E-02  6.85885E-02  6.87657E-02  7.33515E-02  7.89993E-02  7.33515E-02  7.19762E-02
   dip-dip  6.75363E-02  6.75363E-02  6.75363E-02  7.26531E-02  7.77699E-02  7.26531E-02  7.09475E-02
   qua-qua  1.05220E-03  1.05220E-03  1.22939E-03  6.98376E-04  1.22939E-03  6.98376E-04  1.02872E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -5.26598E-03 -2.62006E-17 -1.68815E-02 -2.98123E-17
   dip-dip  0.00000E+00 -2.02056E-17  0.00000E+00 -1.65785E-17
   qua-qua -5.26598E-03 -5.99499E-18 -1.68815E-02 -1.32338E-17

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

 Energ = -11.80000 eV

 Vmoy = -19.97194 eV, Vmftabs = -23.38022 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.180E-05  3.005E-07    1.305E-02 -3.321E-04    2.445E-03 -6.225E-05
  1  0    1  1      2.510E-03 -2.994E-05   -6.422E-02  7.670E-04   -7.277E-03  8.706E-05
  2  0    1  1      5.937E-04 -1.394E-05   -2.483E-02  5.832E-04   -4.750E-03  1.116E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.8040330672E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.8040330672E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3115582640E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.3542395629E-04  0.0000000000E+00  8.8397213785E-05
  0.0000000000E+00 -9.4003294322E-05  3.5675140430E-05
  8.8397213785E-05  3.5675140430E-05 -4.5697840466E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.6471362531E-04  3.5675140430E-05
  1.6471362531E-04  0.0000000000E+00 -8.8397213785E-05
  3.5675140430E-05 -8.8397213785E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  8.8397213785E-05  3.5675140430E-05  1.9089333111E-04
  3.5675140430E-05 -8.8397213785E-05  0.0000000000E+00
  1.9089333111E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.6471362531E-04  3.5675140430E-05
  1.6471362531E-04  0.0000000000E+00 -8.8397213785E-05
  3.5675140430E-05 -8.8397213785E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -9.4003294322E-05  0.0000000000E+00 -8.8397213785E-05
  0.0000000000E+00  2.3542395629E-04 -3.5675140430E-05
 -8.8397213785E-05 -3.5675140430E-05 -4.5697840466E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.5675140430E-05 -8.8397213785E-05  0.0000000000E+00
 -8.8397213785E-05 -3.5675140430E-05  1.9089333111E-04
  0.0000000000E+00  1.9089333111E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  8.8397213785E-05  3.5675140430E-05  1.9089333111E-04
  3.5675140430E-05 -8.8397213785E-05  0.0000000000E+00
  1.9089333111E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.5675140430E-05 -8.8397213785E-05  0.0000000000E+00
 -8.8397213785E-05 -3.5675140430E-05  1.9089333111E-04
  0.0000000000E+00  1.9089333111E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.5697840466E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.5697840466E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2876140325E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.8824198403E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8824198403E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.8693495837E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.4125437378E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6401976593E-04  2.1405084258E-04
  0.0000000000E+00  2.1405084258E-04 -2.7418704280E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  9.8828175184E-04  2.1405084258E-04
  9.8828175184E-04  0.0000000000E+00  0.0000000000E+00
  2.1405084258E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.1405084258E-04  1.1453599867E-03
  2.1405084258E-04  0.0000000000E+00  0.0000000000E+00
  1.1453599867E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  9.8828175184E-04  2.1405084258E-04
  9.8828175184E-04  0.0000000000E+00  0.0000000000E+00
  2.1405084258E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.6401976593E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4125437378E-03 -2.1405084258E-04
  0.0000000000E+00 -2.1405084258E-04 -2.7418704280E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.1405084258E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1405084258E-04  1.1453599867E-03
  0.0000000000E+00  1.1453599867E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.1405084258E-04  1.1453599867E-03
  2.1405084258E-04  0.0000000000E+00  0.0000000000E+00
  1.1453599867E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.1405084258E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1405084258E-04  1.1453599867E-03
  0.0000000000E+00  1.1453599867E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.7418704280E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.7418704280E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7256841948E-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  5.98125E-02  5.98125E-02  5.99696E-02  6.94422E-02  7.98389E-02  6.94422E-02  6.64171E-02
   dip-dip  5.88242E-02  5.88242E-02  5.88242E-02  6.87588E-02  7.86935E-02  6.87588E-02  6.54473E-02
   qua-qua  9.88282E-04  9.88282E-04  1.14536E-03  6.83372E-04  1.14536E-03  6.83372E-04  9.69804E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.73010E-03 -4.46254E-17 -1.51636E-02 -4.40807E-17
   dip-dip  0.00000E+00 -3.92314E-17  0.00000E+00 -3.21890E-17
   qua-qua -4.73010E-03 -5.39399E-18 -1.51636E-02 -1.18917E-17

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

 Energ = -11.70000 eV

 Vmoy = -19.97465 eV, Vmftabs = -23.38023 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.147E-05  2.844E-07    1.268E-02 -3.144E-04    2.376E-03 -5.892E-05
  1  0    1  1      2.486E-03 -2.852E-05   -6.360E-02  7.307E-04   -7.206E-03  8.295E-05
  2  0    1  1      5.797E-04 -1.321E-05   -2.425E-02  5.528E-04   -4.638E-03  1.058E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.8731010383E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.8731010383E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3238180097E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.2586691012E-04  0.0000000000E+00  7.9858340563E-05
  0.0000000000E+00 -8.7254372648E-05  3.2405439870E-05
  7.9858340563E-05  3.2405439870E-05 -4.7395592589E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.5656064139E-04  3.2405439870E-05
  1.5656064139E-04  0.0000000000E+00 -7.9858340563E-05
  3.2405439870E-05 -7.9858340563E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  7.9858340563E-05  3.2405439870E-05  1.7964106847E-04
  3.2405439870E-05 -7.9858340563E-05  0.0000000000E+00
  1.7964106847E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.5656064139E-04  3.2405439870E-05
  1.5656064139E-04  0.0000000000E+00 -7.9858340563E-05
  3.2405439870E-05 -7.9858340563E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.7254372648E-05  0.0000000000E+00 -7.9858340563E-05
  0.0000000000E+00  2.2586691012E-04 -3.2405439870E-05
 -7.9858340563E-05 -3.2405439870E-05 -4.7395592589E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.2405439870E-05 -7.9858340563E-05  0.0000000000E+00
 -7.9858340563E-05 -3.2405439870E-05  1.7964106847E-04
  0.0000000000E+00  1.7964106847E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  7.9858340563E-05  3.2405439870E-05  1.7964106847E-04
  3.2405439870E-05 -7.9858340563E-05  0.0000000000E+00
  1.7964106847E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.2405439870E-05 -7.9858340563E-05  0.0000000000E+00
 -7.9858340563E-05 -3.2405439870E-05  1.7964106847E-04
  0.0000000000E+00  1.7964106847E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.7395592589E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7395592589E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2995889589E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.3238606230E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3238606230E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.9429080584E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.3552014607E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.2352623589E-04  1.9443263922E-04
  0.0000000000E+00  1.9443263922E-04 -2.8437355553E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  9.3936384832E-04  1.9443263922E-04
  9.3936384832E-04  0.0000000000E+00  0.0000000000E+00
  1.9443263922E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.9443263922E-04  1.0778464108E-03
  1.9443263922E-04  0.0000000000E+00  0.0000000000E+00
  1.0778464108E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  9.3936384832E-04  1.9443263922E-04
  9.3936384832E-04  0.0000000000E+00  0.0000000000E+00
  1.9443263922E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.2352623589E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3552014607E-03 -1.9443263922E-04
  0.0000000000E+00 -1.9443263922E-04 -2.8437355553E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.9443263922E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9443263922E-04  1.0778464108E-03
  0.0000000000E+00  1.0778464108E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.9443263922E-04  1.0778464108E-03
  1.9443263922E-04  0.0000000000E+00  0.0000000000E+00
  1.0778464108E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.9443263922E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9443263922E-04  1.0778464108E-03
  0.0000000000E+00  1.0778464108E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.8437355553E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8437355553E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7975337535E-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  5.41780E-02  5.41780E-02  5.43165E-02  6.70098E-02  8.05069E-02  6.70098E-02  6.28933E-02
   dip-dip  5.32386E-02  5.32386E-02  5.32386E-02  6.63338E-02  7.94291E-02  6.63338E-02  6.19688E-02
   qua-qua  9.39364E-04  9.39364E-04  1.07785E-03  6.75925E-04  1.07785E-03  6.75925E-04  9.24507E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.27324E-03 -5.65902E-17 -1.36990E-02 -5.31758E-17
   dip-dip  0.00000E+00 -5.17130E-17  0.00000E+00 -4.24301E-17
   qua-qua -4.27324E-03 -4.87714E-18 -1.36990E-02 -1.07458E-17

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

 Energ = -11.60000 eV

 Vmoy = -19.97729 eV, Vmftabs = -23.38001 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.116E-05  2.696E-07    1.234E-02 -2.980E-04    2.311E-03 -5.586E-05
  1  0    1  1      2.463E-03 -2.719E-05   -6.302E-02  6.966E-04   -7.140E-03  7.908E-05
  2  0    1  1      5.665E-04 -1.254E-05   -2.369E-02  5.246E-04   -4.532E-03  1.004E-04

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.6266816912E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.6266816912E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3275660570E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.1895071607E-04  0.0000000000E+00  7.2491905598E-05
  0.0000000000E+00 -8.2147739373E-05  2.9514445865E-05
  7.2491905598E-05  2.9514445865E-05 -4.9561008186E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.5054922772E-04  2.9514445865E-05
  1.5054922772E-04  0.0000000000E+00 -7.2491905598E-05
  2.9514445865E-05 -7.2491905598E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  7.2491905598E-05  2.9514445865E-05  1.7063078738E-04
  2.9514445865E-05 -7.2491905598E-05  0.0000000000E+00
  1.7063078738E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.5054922772E-04  2.9514445865E-05
  1.5054922772E-04  0.0000000000E+00 -7.2491905598E-05
  2.9514445865E-05 -7.2491905598E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.2147739373E-05  0.0000000000E+00 -7.2491905598E-05
  0.0000000000E+00  2.1895071607E-04 -2.9514445865E-05
 -7.2491905598E-05 -2.9514445865E-05 -4.9561008186E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.9514445865E-05 -7.2491905598E-05  0.0000000000E+00
 -7.2491905598E-05 -2.9514445865E-05  1.7063078738E-04
  0.0000000000E+00  1.7063078738E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  7.2491905598E-05  2.9514445865E-05  1.7063078738E-04
  2.9514445865E-05 -7.2491905598E-05  0.0000000000E+00
  1.7063078738E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.9514445865E-05 -7.2491905598E-05  0.0000000000E+00
 -7.2491905598E-05 -2.9514445865E-05  1.7063078738E-04
  0.0000000000E+00  1.7063078738E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.9561008186E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9561008186E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3217964827E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.1760090147E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1760090147E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.9653963423E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.3137042964E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9288643624E-04  1.7708667519E-04
  0.0000000000E+00  1.7708667519E-04 -2.9736604912E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  9.0329536634E-04  1.7708667519E-04
  9.0329536634E-04  0.0000000000E+00  0.0000000000E+00
  1.7708667519E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.7708667519E-04  1.0237847243E-03
  1.7708667519E-04  0.0000000000E+00  0.0000000000E+00
  1.0237847243E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  9.0329536634E-04  1.7708667519E-04
  9.0329536634E-04  0.0000000000E+00  0.0000000000E+00
  1.7708667519E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.9288643624E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3137042964E-03 -1.7708667519E-04
  0.0000000000E+00 -1.7708667519E-04 -2.9736604912E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.7708667519E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7708667519E-04  1.0237847243E-03
  0.0000000000E+00  1.0237847243E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.7708667519E-04  1.0237847243E-03
  1.7708667519E-04  0.0000000000E+00  0.0000000000E+00
  1.0237847243E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.7708667519E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7708667519E-04  1.0237847243E-03
  0.0000000000E+00  1.0237847243E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.9736604912E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9736604912E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.9307788963E-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  5.26634E-02  5.26634E-02  5.27839E-02  6.63824E-02  8.06777E-02  6.63824E-02  6.19488E-02
   dip-dip  5.17601E-02  5.17601E-02  5.17601E-02  6.57070E-02  7.96540E-02  6.57070E-02  6.10580E-02
   qua-qua  9.03295E-04  9.03295E-04  1.02378E-03  6.75379E-04  1.02378E-03  6.75379E-04  8.90713E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.87911E-03 -5.95025E-17 -1.24355E-02 -5.49450E-17
   dip-dip  0.00000E+00 -5.50771E-17  0.00000E+00 -4.51902E-17
   qua-qua -3.87911E-03 -4.42538E-18 -1.24355E-02 -9.75477E-18

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

 Energ = -11.50000 eV

 Vmoy = -19.97983 eV, Vmftabs = -23.37979 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.086E-05  2.559E-07    1.201E-02 -2.829E-04    2.250E-03 -5.302E-05
  1  0    1  1      2.441E-03 -2.593E-05   -6.246E-02  6.644E-04   -7.077E-03  7.544E-05
  2  0    1  1      5.539E-04 -1.191E-05   -2.317E-02  4.985E-04   -4.432E-03  9.541E-05

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.8364918895E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.8364918895E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3194346829E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.1456661408E-04  0.0000000000E+00  6.6121739982E-05
  0.0000000000E+00 -7.8623973617E-05  2.6904898888E-05
  6.6121739982E-05  2.6904898888E-05 -5.2207972693E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.4659529385E-04  2.6904898888E-05
  1.4659529385E-04  0.0000000000E+00 -6.6121739982E-05
  2.6904898888E-05 -6.6121739982E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  6.6121739982E-05  2.6904898888E-05  1.6349972386E-04
  2.6904898888E-05 -6.6121739982E-05  0.0000000000E+00
  1.6349972386E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.4659529385E-04  2.6904898888E-05
  1.4659529385E-04  0.0000000000E+00 -6.6121739982E-05
  2.6904898888E-05 -6.6121739982E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.8623973617E-05  0.0000000000E+00 -6.6121739982E-05
  0.0000000000E+00  2.1456661408E-04 -2.6904898888E-05
 -6.6121739982E-05 -2.6904898888E-05 -5.2207972693E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.6904898888E-05 -6.6121739982E-05  0.0000000000E+00
 -6.6121739982E-05 -2.6904898888E-05  1.6349972386E-04
  0.0000000000E+00  1.6349972386E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  6.6121739982E-05  2.6904898888E-05  1.6349972386E-04
  2.6904898888E-05 -6.6121739982E-05  0.0000000000E+00
  1.6349972386E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.6904898888E-05 -6.6121739982E-05  0.0000000000E+00
 -6.6121739982E-05 -2.6904898888E-05  1.6349972386E-04
  0.0000000000E+00  1.6349972386E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.2207972693E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.2207972693E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3542618915E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.3018951337E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3018951337E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.9166080973E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.2873996845E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7174384170E-04  1.6142939333E-04
  0.0000000000E+00  1.6142939333E-04 -3.1324783616E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  8.7957176309E-04  1.6142939333E-04
  8.7957176309E-04  0.0000000000E+00  0.0000000000E+00
  1.6142939333E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.6142939333E-04  9.8099834316E-04
  1.6142939333E-04  0.0000000000E+00  0.0000000000E+00
  9.8099834316E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  8.7957176309E-04  1.6142939333E-04
  8.7957176309E-04  0.0000000000E+00  0.0000000000E+00
  1.6142939333E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.7174384170E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2873996845E-03 -1.6142939333E-04
  0.0000000000E+00 -1.6142939333E-04 -3.1324783616E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.6142939333E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6142939333E-04  9.8099834316E-04
  0.0000000000E+00  9.8099834316E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.6142939333E-04  9.8099834316E-04
  1.6142939333E-04  0.0000000000E+00  0.0000000000E+00
  9.8099834316E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.6142939333E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6142939333E-04  9.8099834316E-04
  0.0000000000E+00  9.8099834316E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.1324783616E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1324783616E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.1255713491E-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  5.38985E-02  5.38985E-02  5.39999E-02  6.67741E-02  8.01471E-02  6.67741E-02  6.26020E-02
   dip-dip  5.30190E-02  5.30190E-02  5.30190E-02  6.60925E-02  7.91661E-02  6.60925E-02  6.17347E-02
   qua-qua  8.79572E-04  8.79572E-04  9.80998E-04  6.81613E-04  9.80998E-04  6.81613E-04  8.67353E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.53829E-03 -5.56538E-17 -1.13429E-02 -5.12549E-17
   dip-dip  0.00000E+00 -5.16288E-17  0.00000E+00 -4.23609E-17
   qua-qua -3.53829E-03 -4.02500E-18 -1.13429E-02 -8.89395E-18

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

 Energ = -11.40000 eV

 Vmoy = -19.98232 eV, Vmftabs = -23.37957 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.058E-05  2.432E-07    1.170E-02 -2.689E-04    2.192E-03 -5.040E-05
  1  0    1  1      2.421E-03 -2.475E-05   -6.194E-02  6.340E-04   -7.017E-03  7.199E-05
  2  0    1  1      5.419E-04 -1.133E-05   -2.267E-02  4.742E-04   -4.336E-03  9.075E-05

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.3310039662E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.3310039662E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2984495520E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.1319349331E-04  0.0000000000E+00  6.0814331273E-05
  0.0000000000E+00 -7.7180084560E-05  2.4529778048E-05
  6.0814331273E-05  2.4529778048E-05 -5.5368816947E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.4518678894E-04  2.4529778048E-05
  1.4518678894E-04  0.0000000000E+00 -6.0814331273E-05
  2.4529778048E-05 -6.0814331273E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  6.0814331273E-05  2.4529778048E-05  1.5805690032E-04
  2.4529778048E-05 -6.0814331273E-05  0.0000000000E+00
  1.5805690032E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.4518678894E-04  2.4529778048E-05
  1.4518678894E-04  0.0000000000E+00 -6.0814331273E-05
  2.4529778048E-05 -6.0814331273E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.7180084560E-05  0.0000000000E+00 -6.0814331273E-05
  0.0000000000E+00  2.1319349331E-04 -2.4529778048E-05
 -6.0814331273E-05 -2.4529778048E-05 -5.5368816947E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.4529778048E-05 -6.0814331273E-05  0.0000000000E+00
 -6.0814331273E-05 -2.4529778048E-05  1.5805690032E-04
  0.0000000000E+00  1.5805690032E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  6.0814331273E-05  2.4529778048E-05  1.5805690032E-04
  2.4529778048E-05 -6.0814331273E-05  0.0000000000E+00
  1.5805690032E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.4529778048E-05 -6.0814331273E-05  0.0000000000E+00
 -6.0814331273E-05 -2.4529778048E-05  1.5805690032E-04
  0.0000000000E+00  1.5805690032E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.5368816947E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.5368816947E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3973827514E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.5986023797E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.5986023797E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7906973122E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.2791609599E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6308050736E-04  1.4717866829E-04
  0.0000000000E+00  1.4717866829E-04 -3.3221290168E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  8.7112073362E-04  1.4717866829E-04
  8.7112073362E-04  0.0000000000E+00  0.0000000000E+00
  1.4717866829E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.4717866829E-04  9.4834140190E-04
  1.4717866829E-04  0.0000000000E+00  0.0000000000E+00
  9.4834140190E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  8.7112073362E-04  1.4717866829E-04
  8.7112073362E-04  0.0000000000E+00  0.0000000000E+00
  1.4717866829E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.6308050736E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2791609599E-03 -1.4717866829E-04
  0.0000000000E+00 -1.4717866829E-04 -3.3221290168E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.4717866829E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4717866829E-04  9.4834140190E-04
  0.0000000000E+00  9.4834140190E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.4717866829E-04  9.4834140190E-04
  1.4717866829E-04  0.0000000000E+00  0.0000000000E+00
  9.4834140190E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.4717866829E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4717866829E-04  9.4834140190E-04
  0.0000000000E+00  9.4834140190E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.3221290168E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3221290168E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.3842965082E-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  5.68571E-02  5.68571E-02  5.69344E-02  6.76420E-02  7.88553E-02  6.76420E-02  6.41482E-02
   dip-dip  5.59860E-02  5.59860E-02  5.59860E-02  6.69465E-02  7.79070E-02  6.69465E-02  6.32930E-02
   qua-qua  8.71121E-04  8.71121E-04  9.48341E-04  6.95504E-04  9.48341E-04  6.95504E-04  8.55178E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.25432E-03 -4.69558E-17 -1.04326E-02 -4.36836E-17
   dip-dip  0.00000E+00 -4.32846E-17  0.00000E+00 -3.55146E-17
   qua-qua -3.25432E-03 -3.67130E-18 -1.04326E-02 -8.16904E-18

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

 Energ = -11.30000 eV

 Vmoy = -19.98475 eV, Vmftabs = -23.37935 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.032E-05  2.315E-07    1.140E-02 -2.559E-04    2.136E-03 -4.796E-05
  1  0    1  1      2.401E-03 -2.362E-05   -6.144E-02  6.052E-04   -6.961E-03  6.872E-05
  2  0    1  1      5.306E-04 -1.079E-05   -2.219E-02  4.515E-04   -4.245E-03  8.642E-05

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.9758142148E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.9758142148E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2647345255E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.1684881136E-04  0.0000000000E+00  5.7286560576E-05
  0.0000000000E+00 -7.9826903132E-05  2.2548916056E-05
  5.7286560576E-05  2.2548916056E-05 -5.9092929497E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.4833785725E-04  2.2548916056E-05
  1.4833785725E-04  0.0000000000E+00 -5.7286560576E-05
  2.2548916056E-05 -5.7286560576E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  5.7286560576E-05  2.2548916056E-05  1.5444775178E-04
  2.2548916056E-05 -5.7286560576E-05  0.0000000000E+00
  1.5444775178E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.4833785725E-04  2.2548916056E-05
  1.4833785725E-04  0.0000000000E+00 -5.7286560576E-05
  2.2548916056E-05 -5.7286560576E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.9826903132E-05  0.0000000000E+00 -5.7286560576E-05
  0.0000000000E+00  2.1684881136E-04 -2.2548916056E-05
 -5.7286560576E-05 -2.2548916056E-05 -5.9092929497E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.2548916056E-05 -5.7286560576E-05  0.0000000000E+00
 -5.7286560576E-05 -2.2548916056E-05  1.5444775178E-04
  0.0000000000E+00  1.5444775178E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  5.7286560576E-05  2.2548916056E-05  1.5444775178E-04
  2.2548916056E-05 -5.7286560576E-05  0.0000000000E+00
  1.5444775178E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.2548916056E-05 -5.7286560576E-05  0.0000000000E+00
 -5.7286560576E-05 -2.2548916056E-05  1.5444775178E-04
  0.0000000000E+00  1.5444775178E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.9092929497E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.9092929497E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4518814961E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.9854885289E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9854885289E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.5884071528E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.3010928682E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7896141879E-04  1.3529349634E-04
  0.0000000000E+00  1.3529349634E-04 -3.5455757698E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  8.9002714348E-04  1.3529349634E-04
  8.9002714348E-04  0.0000000000E+00  0.0000000000E+00
  1.3529349634E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.3529349634E-04  9.2668651067E-04
  1.3529349634E-04  0.0000000000E+00  0.0000000000E+00
  9.2668651067E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  8.9002714348E-04  1.3529349634E-04
  8.9002714348E-04  0.0000000000E+00  0.0000000000E+00
  1.3529349634E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.7896141879E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3010928682E-03 -1.3529349634E-04
  0.0000000000E+00 -1.3529349634E-04 -3.5455757698E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.3529349634E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3529349634E-04  9.2668651067E-04
  0.0000000000E+00  9.2668651067E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.3529349634E-04  9.2668651067E-04
  1.3529349634E-04  0.0000000000E+00  0.0000000000E+00
  9.2668651067E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.3529349634E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3529349634E-04  9.2668651067E-04
  0.0000000000E+00  9.2668651067E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.5455757698E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5455757698E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.7112889767E-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  6.07449E-02  6.07449E-02  6.07816E-02  6.85898E-02  7.68108E-02  6.85898E-02  6.60574E-02
   dip-dip  5.98549E-02  5.98549E-02  5.98549E-02  6.78695E-02  7.58841E-02  6.78695E-02  6.51979E-02
   qua-qua  8.90027E-04  8.90027E-04  9.26687E-04  7.20334E-04  9.26687E-04  7.20334E-04  8.59439E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.06558E-03 -3.50376E-17 -9.82751E-03 -3.36386E-17
   dip-dip  0.00000E+00 -3.16512E-17  0.00000E+00 -2.59695E-17
   qua-qua -3.06558E-03 -3.38641E-18 -9.82751E-03 -7.66902E-18

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

 Energ = -11.20000 eV

 Vmoy = -19.98714 eV, Vmftabs = -23.37914 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.006E-05  2.205E-07    1.112E-02 -2.438E-04    2.084E-03 -4.569E-05
  1  0    1  1      2.383E-03 -2.256E-05   -6.097E-02  5.779E-04   -6.907E-03  6.563E-05
  2  0    1  1      5.197E-04 -1.028E-05   -2.174E-02  4.304E-04   -4.158E-03  8.237E-05

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.0647288221E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0647288221E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2181402671E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.2892043443E-04  0.0000000000E+00  5.7007401195E-05
  0.0000000000E+00 -8.9917084874E-05  2.1794855796E-05
  5.7007401195E-05  2.1794855796E-05 -6.3449750418E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.5941875965E-04  2.1794855796E-05
  1.5941875965E-04  0.0000000000E+00 -5.7007401195E-05
  2.1794855796E-05 -5.7007401195E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  5.7007401195E-05  2.1794855796E-05  1.5335917254E-04
  2.1794855796E-05 -5.7007401195E-05  0.0000000000E+00
  1.5335917254E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.5941875965E-04  2.1794855796E-05
  1.5941875965E-04  0.0000000000E+00 -5.7007401195E-05
  2.1794855796E-05 -5.7007401195E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.9917084874E-05  0.0000000000E+00 -5.7007401195E-05
  0.0000000000E+00  2.2892043443E-04 -2.1794855796E-05
 -5.7007401195E-05 -2.1794855796E-05 -6.3449750418E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.1794855796E-05 -5.7007401195E-05  0.0000000000E+00
 -5.7007401195E-05 -2.1794855796E-05  1.5335917254E-04
  0.0000000000E+00  1.5335917254E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  5.7007401195E-05  2.1794855796E-05  1.5335917254E-04
  2.1794855796E-05 -5.7007401195E-05  0.0000000000E+00
  1.5335917254E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.1794855796E-05 -5.7007401195E-05  0.0000000000E+00
 -5.7007401195E-05 -2.1794855796E-05  1.5335917254E-04
  0.0000000000E+00  1.5335917254E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.3449750418E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3449750418E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5188659167E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.3883729326E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.3883729326E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.3088416023E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.3735226066E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.3950250924E-04  1.3076913478E-04
  0.0000000000E+00  1.3076913478E-04 -3.8069850251E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  9.5651255791E-04  1.3076913478E-04
  9.5651255791E-04  0.0000000000E+00  0.0000000000E+00
  1.3076913478E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.3076913478E-04  9.2015503527E-04
  1.3076913478E-04  0.0000000000E+00  0.0000000000E+00
  9.2015503527E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  9.5651255791E-04  1.3076913478E-04
  9.5651255791E-04  0.0000000000E+00  0.0000000000E+00
  1.3076913478E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.3950250924E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3735226066E-03 -1.3076913478E-04
  0.0000000000E+00 -1.3076913478E-04 -3.8069850251E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.3076913478E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3076913478E-04  9.2015503527E-04
  0.0000000000E+00  9.2015503527E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.3076913478E-04  9.2015503527E-04
  1.3076913478E-04  0.0000000000E+00  0.0000000000E+00
  9.2015503527E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.3076913478E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3076913478E-04  9.2015503527E-04
  0.0000000000E+00  9.2015503527E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.8069850251E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8069850251E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.1131955004E-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  6.48402E-02  6.48402E-02  6.48039E-02  6.92476E-02  7.40086E-02  6.92476E-02  6.78419E-02
   dip-dip  6.38837E-02  6.38837E-02  6.38837E-02  6.84861E-02  7.30884E-02  6.84861E-02  6.69520E-02
   qua-qua  9.56513E-04  9.56513E-04  9.20155E-04  7.61560E-04  9.20155E-04  7.61560E-04  8.89982E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.05068E-03 -2.14248E-17 -9.77975E-03 -2.25036E-17
   dip-dip  0.00000E+00 -1.81758E-17  0.00000E+00 -1.49131E-17
   qua-qua -3.05068E-03 -3.24903E-18 -9.77975E-03 -7.59053E-18

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

 Energ = -11.10000 eV

 Vmoy = -19.98948 eV, Vmftabs = -23.37893 eV

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

 iapr =  1, Z = 27, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -9.820E-06  2.103E-07    1.086E-02 -2.325E-04    2.034E-03 -4.358E-05
  1  0    1  1      2.365E-03 -2.154E-05   -6.052E-02  5.520E-04   -6.857E-03  6.269E-05
  2  0    1  1      5.094E-04 -9.812E-06   -2.131E-02  4.106E-04   -4.075E-03  7.860E-05

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1234392241E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1234392241E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1636460313E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.3891023322E-04  0.0000000000E+00  5.5891729687E-05
  0.0000000000E+00 -9.6888233412E-05  2.2110577030E-05
  5.5891729687E-05  2.2110577030E-05 -6.8533809654E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.6789923332E-04  2.2110577030E-05
  1.6789923332E-04  0.0000000000E+00 -5.5891729687E-05
  2.2110577030E-05 -5.5891729687E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  5.5891729687E-05  2.2110577030E-05  1.5341850905E-04
  2.2110577030E-05 -5.5891729687E-05  0.0000000000E+00
  1.5341850905E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.6789923332E-04  2.2110577030E-05
  1.6789923332E-04  0.0000000000E+00 -5.5891729687E-05
  2.2110577030E-05 -5.5891729687E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -9.6888233412E-05  0.0000000000E+00 -5.5891729687E-05
  0.0000000000E+00  2.3891023322E-04 -2.2110577030E-05
 -5.5891729687E-05 -2.2110577030E-05 -6.8533809654E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.2110577030E-05 -5.5891729687E-05  0.0000000000E+00
 -5.5891729687E-05 -2.2110577030E-05  1.5341850905E-04
  0.0000000000E+00  1.5341850905E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  5.5891729687E-05  2.2110577030E-05  1.5341850905E-04
  2.2110577030E-05 -5.5891729687E-05  0.0000000000E+00
  1.5341850905E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.2110577030E-05 -5.5891729687E-05  0.0000000000E+00
 -5.5891729687E-05 -2.2110577030E-05  1.5341850905E-04
  0.0000000000E+00  1.5341850905E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.8533809654E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.8533809654E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5998855502E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.7406353449E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.7406353449E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.9818761875E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.4334613993E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.8132940047E-04  1.3266346218E-04
  0.0000000000E+00  1.3266346218E-04 -4.1120285792E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.0073953999E-03  1.3266346218E-04
  1.0073953999E-03  0.0000000000E+00  0.0000000000E+00
  1.3266346218E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.3266346218E-04  9.2051105429E-04
  1.3266346218E-04  0.0000000000E+00  0.0000000000E+00
  9.2051105429E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.0073953999E-03  1.3266346218E-04
  1.0073953999E-03  0.0000000000E+00  0.0000000000E+00
  1.3266346218E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.8132940047E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4334613993E-03 -1.3266346218E-04
  0.0000000000E+00 -1.3266346218E-04 -4.1120285792E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.3266346218E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3266346218E-04  9.2051105429E-04
  0.0000000000E+00  9.2051105429E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.3266346218E-04  9.2051105429E-04
  1.3266346218E-04  0.0000000000E+00  0.0000000000E+00
  9.2051105429E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.3266346218E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3266346218E-04  9.2051105429E-04
  0.0000000000E+00  9.2051105429E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.1120285792E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.1120285792E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.5993133014E-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  6.84137E-02  6.84137E-02  6.83269E-02  6.94165E-02  7.07393E-02  6.94165E-02  6.91289E-02
   dip-dip  6.74064E-02  6.74064E-02  6.74064E-02  6.86126E-02  6.98188E-02  6.86126E-02  6.82105E-02
   qua-qua  1.00740E-03  1.00740E-03  9.20511E-04  8.03950E-04  9.20511E-04  8.03950E-04  9.18389E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.99102E-03 -7.92299E-18 -9.58848E-03 -1.13495E-17
   dip-dip  0.00000E+00 -4.76367E-18  0.00000E+00 -3.90854E-18
   qua-qua -2.99102E-03 -3.15932E-18 -9.58848E-03 -7.44101E-18

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

 Energ = -11.00000 eV

 Vmoy = -19.99176 eV, Vmftabs = -23.37871 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -9.590E-06  2.008E-07    1.060E-02 -2.220E-04    1.986E-03 -4.161E-05
  1  0    1  1      2.349E-03 -2.058E-05   -6.010E-02  5.274E-04   -6.809E-03  5.990E-05
  2  0    1  1      4.995E-04 -9.370E-06   -2.089E-02  3.921E-04   -3.996E-03  7.506E-05
  3  0    1  1      1.869E-05 -5.796E-07   -1.032E-03  3.202E-05   -2.538E-04  7.876E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1475812332E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1475812332E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0587432457E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.3788986007E-04  0.0000000000E+00  4.9539952763E-05
  0.0000000000E+00 -9.1707027052E-05  2.0892308120E-05
  4.9539952763E-05  2.0892308120E-05 -7.4472166507E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.6479844356E-04  2.0892308120E-05
  1.6479844356E-04  0.0000000000E+00 -4.9539952763E-05
  2.0892308120E-05 -4.9539952763E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  4.9539952763E-05  2.0892308120E-05  1.5224858677E-04
  2.0892308120E-05 -4.9539952763E-05  0.0000000000E+00
  1.5224858677E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.6479844356E-04  2.0892308120E-05
  1.6479844356E-04  0.0000000000E+00 -4.9539952763E-05
  2.0892308120E-05 -4.9539952763E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -9.1707027052E-05  0.0000000000E+00 -4.9539952763E-05
  0.0000000000E+00  2.3788986007E-04 -2.0892308120E-05
 -4.9539952763E-05 -2.0892308120E-05 -7.4472166507E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.0892308120E-05 -4.9539952763E-05  0.0000000000E+00
 -4.9539952763E-05 -2.0892308120E-05  1.5224858677E-04
  0.0000000000E+00  1.5224858677E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  4.9539952763E-05  2.0892308120E-05  1.5224858677E-04
  2.0892308120E-05 -4.9539952763E-05  0.0000000000E+00
  1.5224858677E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.0892308120E-05 -4.9539952763E-05  0.0000000000E+00
 -4.9539952763E-05 -2.0892308120E-05  1.5224858677E-04
  0.0000000000E+00  1.5224858677E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -7.4472166507E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.4472166507E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6969946996E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.8854873991E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8854873991E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.3524594743E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.4273391604E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.5024216231E-04  1.2535384872E-04
  0.0000000000E+00  1.2535384872E-04 -4.4683299904E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  9.8879066136E-04  1.2535384872E-04
  9.8879066136E-04  0.0000000000E+00  0.0000000000E+00
  1.2535384872E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.2535384872E-04  9.1349152062E-04
  1.2535384872E-04  0.0000000000E+00  0.0000000000E+00
  9.1349152062E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  9.8879066136E-04  1.2535384872E-04
  9.8879066136E-04  0.0000000000E+00  0.0000000000E+00
  1.2535384872E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.5024216231E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4273391604E-03 -1.2535384872E-04
  0.0000000000E+00 -1.2535384872E-04 -4.4683299904E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.2535384872E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2535384872E-04  9.1349152062E-04
  0.0000000000E+00  9.1349152062E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.2535384872E-04  9.1349152062E-04
  1.2535384872E-04  0.0000000000E+00  0.0000000000E+00
  9.1349152062E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.2535384872E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2535384872E-04  9.1349152062E-04
  0.0000000000E+00  9.1349152062E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.4683299904E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4683299904E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0181968198E-03

 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  6.98437E-02  6.98437E-02  6.97684E-02  6.70245E-02  6.44381E-02  6.70245E-02  6.79957E-02
   dip-dip  6.88549E-02  6.88549E-02  6.88549E-02  6.61897E-02  6.35246E-02  6.61897E-02  6.70781E-02
   qua-qua  9.88791E-04  9.88791E-04  9.13492E-04  8.34800E-04  9.13492E-04  8.34800E-04  9.17607E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.65114E-03  7.65999E-18 -8.49891E-03  2.01031E-18
   dip-dip  0.00000E+00  1.05256E-17  0.00000E+00  8.63614E-18
   qua-qua -2.65114E-03 -2.86560E-18 -8.49891E-03 -6.62583E-18

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

 Energ = -10.90000 eV

 Vmoy = -19.99401 eV, Vmftabs = -23.37850 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -9.371E-06  1.919E-07    1.036E-02 -2.122E-04    1.941E-03 -3.977E-05
  1  0    1  1      2.333E-03 -1.966E-05   -5.970E-02  5.039E-04   -6.764E-03  5.724E-05
  2  0    1  1      4.901E-04 -8.957E-06   -2.050E-02  3.748E-04   -3.921E-03  7.175E-05
  3  0    1  1      1.812E-05 -5.497E-07   -1.000E-03  3.036E-05   -2.460E-04  7.469E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1506578405E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1506578405E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.9773111573E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  2.3815997018E-04  0.0000000000E+00  4.2649505520E-05
  0.0000000000E+00 -8.6483054922E-05  1.8848001422E-05
  4.2649505520E-05  1.8848001422E-05 -8.1429616531E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.6232151255E-04  1.8848001422E-05
  1.6232151255E-04  0.0000000000E+00 -4.2649505520E-05
  1.8848001422E-05 -4.2649505520E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  4.2649505520E-05  1.8848001422E-05  1.5159528851E-04
  1.8848001422E-05 -4.2649505520E-05  0.0000000000E+00
  1.5159528851E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.6232151255E-04  1.8848001422E-05
  1.6232151255E-04  0.0000000000E+00 -4.2649505520E-05
  1.8848001422E-05 -4.2649505520E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.6483054922E-05  0.0000000000E+00 -4.2649505520E-05
  0.0000000000E+00  2.3815997018E-04 -1.8848001422E-05
 -4.2649505520E-05 -1.8848001422E-05 -8.1429616531E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.8848001422E-05 -4.2649505520E-05  0.0000000000E+00
 -4.2649505520E-05 -1.8848001422E-05  1.5159528851E-04
  0.0000000000E+00  1.5159528851E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  4.2649505520E-05  1.8848001422E-05  1.5159528851E-04
  1.8848001422E-05 -4.2649505520E-05  0.0000000000E+00
  1.5159528851E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.8848001422E-05 -4.2649505520E-05  0.0000000000E+00
 -4.2649505520E-05 -1.8848001422E-05  1.5159528851E-04
  0.0000000000E+00  1.5159528851E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -8.1429616531E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.1429616531E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8127752503E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.9039470430E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.9039470430E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9863866944E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.4289598211E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1889832953E-04  1.1308800853E-04
  0.0000000000E+00  1.1308800853E-04 -4.8857769919E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  9.7392907532E-04  1.1308800853E-04
  9.7392907532E-04  0.0000000000E+00  0.0000000000E+00
  1.1308800853E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.1308800853E-04  9.0957173104E-04
  1.1308800853E-04  0.0000000000E+00  0.0000000000E+00
  9.0957173104E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  9.7392907532E-04  1.1308800853E-04
  9.7392907532E-04  0.0000000000E+00  0.0000000000E+00
  1.1308800853E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.1889832953E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4289598211E-03 -1.1308800853E-04
  0.0000000000E+00 -1.1308800853E-04 -4.8857769919E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.1308800853E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1308800853E-04  9.0957173104E-04
  0.0000000000E+00  9.0957173104E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.1308800853E-04  9.0957173104E-04
  1.1308800853E-04  0.0000000000E+00  0.0000000000E+00
  9.0957173104E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.1308800853E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1308800853E-04  9.0957173104E-04
  0.0000000000E+00  9.0957173104E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.8857769919E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.8857769919E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0876651502E-03

 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  7.00134E-02  7.00134E-02  6.99490E-02  6.53251E-02  6.07734E-02  6.53251E-02  6.69023E-02
   dip-dip  6.90395E-02  6.90395E-02  6.90395E-02  6.44517E-02  5.98639E-02  6.44517E-02  6.59809E-02
   qua-qua  9.73929E-04  9.73929E-04  9.09572E-04  8.73445E-04  9.09572E-04  8.73445E-04  9.21390E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.28243E-03  1.56099E-17 -7.31691E-03  9.14263E-18
   dip-dip  0.00000E+00  1.81191E-17  0.00000E+00  1.48665E-17
   qua-qua -2.28243E-03 -2.50923E-18 -7.31691E-03 -5.72392E-18

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

 Energ = -10.80000 eV

 Vmoy = -19.99620 eV, Vmftabs = -23.37829 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -9.161E-06  1.836E-07    1.013E-02 -2.030E-04    1.897E-03 -3.805E-05
  1  0    1  1      2.319E-03 -1.879E-05   -5.932E-02  4.815E-04   -6.721E-03  5.470E-05
  2  0    1  1      4.811E-04 -8.568E-06   -2.012E-02  3.586E-04   -3.849E-03  6.864E-05
  3  0    1  1      1.758E-05 -5.218E-07   -9.706E-04  2.883E-05   -2.387E-04  7.091E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1346697844E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1346697844E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.3836460562E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  2.4261013043E-04  0.0000000000E+00  3.6376481007E-05
  0.0000000000E+00 -8.3835109082E-05  1.6713331129E-05
  3.6376481007E-05  1.6713331129E-05 -8.9582851339E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.6322261975E-04  1.6713331129E-05
  1.6322261975E-04  0.0000000000E+00 -3.6376481007E-05
  1.6713331129E-05 -3.6376481007E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  3.6376481007E-05  1.6713331129E-05  1.5215684389E-04
  1.6713331129E-05 -3.6376481007E-05  0.0000000000E+00
  1.5215684389E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.6322261975E-04  1.6713331129E-05
  1.6322261975E-04  0.0000000000E+00 -3.6376481007E-05
  1.6713331129E-05 -3.6376481007E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.3835109082E-05  0.0000000000E+00 -3.6376481007E-05
  0.0000000000E+00  2.4261013043E-04 -1.6713331129E-05
 -3.6376481007E-05 -1.6713331129E-05 -8.9582851339E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.6713331129E-05 -3.6376481007E-05  0.0000000000E+00
 -3.6376481007E-05 -1.6713331129E-05  1.5215684389E-04
  0.0000000000E+00  1.5215684389E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  3.6376481007E-05  1.6713331129E-05  1.5215684389E-04
  1.6713331129E-05 -3.6376481007E-05  0.0000000000E+00
  1.5215684389E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.6713331129E-05 -3.6376481007E-05  0.0000000000E+00
 -3.6376481007E-05 -1.6713331129E-05  1.5215684389E-04
  0.0000000000E+00  1.5215684389E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -8.9582851339E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.9582851339E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9505471211E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.8080187064E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8080187064E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.6301876337E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.4556607826E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.0301065449E-04  1.0027998677E-04
  0.0000000000E+00  1.0027998677E-04 -5.3749710803E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  9.7933571853E-04  1.0027998677E-04
  9.7933571853E-04  0.0000000000E+00  0.0000000000E+00
  1.0027998677E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.0027998677E-04  9.1294106334E-04
  1.0027998677E-04  0.0000000000E+00  0.0000000000E+00
  9.1294106334E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  9.7933571853E-04  1.0027998677E-04
  9.7933571853E-04  0.0000000000E+00  0.0000000000E+00
  1.0027998677E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.0301065449E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4556607826E-03 -1.0027998677E-04
  0.0000000000E+00 -1.0027998677E-04 -5.3749710803E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.0027998677E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0027998677E-04  9.1294106334E-04
  0.0000000000E+00  9.1294106334E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.0027998677E-04  9.1294106334E-04
  1.0027998677E-04  0.0000000000E+00  0.0000000000E+00
  9.1294106334E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.0027998677E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0027998677E-04  9.1294106334E-04
  0.0000000000E+00  9.1294106334E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.3749710803E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.3749710803E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1703282727E-03

 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  6.90595E-02  6.90595E-02  6.89931E-02  6.31163E-02  5.72148E-02  6.31163E-02  6.50924E-02
   dip-dip  6.80802E-02  6.80802E-02  6.80802E-02  6.21910E-02  5.63019E-02  6.21910E-02  6.41541E-02
   qua-qua  9.79336E-04  9.79336E-04  9.12941E-04  9.25246E-04  9.12941E-04  9.25246E-04  9.38354E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.94674E-03  2.11024E-17 -6.24079E-03  1.41917E-17
   dip-dip  0.00000E+00  2.32590E-17  0.00000E+00  1.90838E-17
   qua-qua -1.94674E-03 -2.15653E-18 -6.24079E-03 -4.89204E-18

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

 Energ = -10.70000 eV

 Vmoy = -19.99835 eV, Vmftabs = -23.37808 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -8.961E-06  1.758E-07    9.907E-03 -1.944E-04    1.856E-03 -3.643E-05
  1  0    1  1      2.305E-03 -1.795E-05   -5.897E-02  4.602E-04   -6.680E-03  5.228E-05
  2  0    1  1      4.725E-04 -8.203E-06   -1.976E-02  3.433E-04   -3.780E-03  6.572E-05
  3  0    1  1      1.706E-05 -4.959E-07   -9.422E-04  2.739E-05   -2.317E-04  6.739E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1038563187E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1038563187E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.8177671699E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  2.5069723459E-04  0.0000000000E+00  3.0338827029E-05
  0.0000000000E+00 -8.3039111141E-05  1.4549946194E-05
  3.0338827029E-05  1.4549946194E-05 -9.9159277064E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.6686817286E-04  1.4549946194E-05
  1.6686817286E-04  0.0000000000E+00 -3.0338827029E-05
  1.4549946194E-05 -3.0338827029E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  3.0338827029E-05  1.4549946194E-05  1.5393659857E-04
  1.4549946194E-05 -3.0338827029E-05  0.0000000000E+00
  1.5393659857E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.6686817286E-04  1.4549946194E-05
  1.6686817286E-04  0.0000000000E+00 -3.0338827029E-05
  1.4549946194E-05 -3.0338827029E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.3039111141E-05  0.0000000000E+00 -3.0338827029E-05
  0.0000000000E+00  2.5069723459E-04 -1.4549946194E-05
 -3.0338827029E-05 -1.4549946194E-05 -9.9159277064E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.4549946194E-05 -3.0338827029E-05  0.0000000000E+00
 -3.0338827029E-05 -1.4549946194E-05  1.5393659857E-04
  0.0000000000E+00  1.5393659857E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  3.0338827029E-05  1.4549946194E-05  1.5393659857E-04
  1.4549946194E-05 -3.0338827029E-05  0.0000000000E+00
  1.5393659857E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.4549946194E-05 -3.0338827029E-05  0.0000000000E+00
 -3.0338827029E-05 -1.4549946194E-05  1.5393659857E-04
  0.0000000000E+00  1.5393659857E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -9.9159277064E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.9159277064E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1150625825E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.6231379124E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6231379124E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.2906603019E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.5041834075E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9823466684E-04  8.7299677163E-05
  0.0000000000E+00  8.7299677163E-05 -5.9495566238E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.0012090372E-03  8.7299677163E-05
  1.0012090372E-03  0.0000000000E+00  0.0000000000E+00
  8.7299677163E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  8.7299677163E-05  9.2361959144E-04
  8.7299677163E-05  0.0000000000E+00  0.0000000000E+00
  9.2361959144E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.0012090372E-03  8.7299677163E-05
  1.0012090372E-03  0.0000000000E+00  0.0000000000E+00
  8.7299677163E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.9823466684E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5041834075E-03 -8.7299677163E-05
  0.0000000000E+00 -8.7299677163E-05 -5.9495566238E-04

 Crystal Tensor_qq(ke,je,3,2)
  8.7299677163E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.7299677163E-05  9.2361959144E-04
  0.0000000000E+00  9.2361959144E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  8.7299677163E-05  9.2361959144E-04
  8.7299677163E-05  0.0000000000E+00  0.0000000000E+00
  9.2361959144E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  8.7299677163E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.7299677163E-05  9.2361959144E-04
  0.0000000000E+00  9.2361959144E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.9495566238E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.9495566238E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2690375495E-03

 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  6.72326E-02  6.72326E-02  6.71550E-02  6.05598E-02  5.38302E-02  6.05598E-02  6.27572E-02
   dip-dip  6.62314E-02  6.62314E-02  6.62314E-02  5.95690E-02  5.29066E-02  5.95690E-02  6.17898E-02
   qua-qua  1.00121E-03  1.00121E-03  9.23620E-04  9.90783E-04  9.23620E-04  9.90783E-04  9.67393E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.62365E-03  2.45128E-17 -5.20503E-03  1.75043E-17
   dip-dip  0.00000E+00  2.63132E-17  0.00000E+00  2.15897E-17
   qua-qua -1.62365E-03 -1.80032E-18 -5.20503E-03 -4.08543E-18

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

 Energ = -10.60000 eV

 Vmoy = -20.00045 eV, Vmftabs = -23.37788 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -8.769E-06  1.685E-07    9.695E-03 -1.863E-04    1.816E-03 -3.492E-05
  1  0    1  1      2.292E-03 -1.716E-05   -5.863E-02  4.397E-04   -6.642E-03  4.996E-05
  2  0    1  1      4.642E-04 -7.860E-06   -1.942E-02  3.289E-04   -3.714E-03  6.297E-05
  3  0    1  1      1.657E-05 -4.718E-07   -9.153E-04  2.606E-05   -2.251E-04  6.411E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.0629609222E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0629609222E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.2865652664E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  2.6215104832E-04  0.0000000000E+00  2.4146022347E-05
  0.0000000000E+00 -8.3527428866E-05  1.2284743790E-05
  2.4146022347E-05  1.2284743790E-05 -1.1051327134E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.7283923860E-04  1.2284743790E-05
  1.7283923860E-04  0.0000000000E+00 -2.4146022347E-05
  1.2284743790E-05 -2.4146022347E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.4146022347E-05  1.2284743790E-05  1.5693145327E-04
  1.2284743790E-05 -2.4146022347E-05  0.0000000000E+00
  1.5693145327E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.7283923860E-04  1.2284743790E-05
  1.7283923860E-04  0.0000000000E+00 -2.4146022347E-05
  1.2284743790E-05 -2.4146022347E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.3527428866E-05  0.0000000000E+00 -2.4146022347E-05
  0.0000000000E+00  2.6215104832E-04 -1.2284743790E-05
 -2.4146022347E-05 -1.2284743790E-05 -1.1051327134E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.2284743790E-05 -2.4146022347E-05  0.0000000000E+00
 -2.4146022347E-05 -1.2284743790E-05  1.5693145327E-04
  0.0000000000E+00  1.5693145327E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.4146022347E-05  1.2284743790E-05  1.5693145327E-04
  1.2284743790E-05 -2.4146022347E-05  0.0000000000E+00
  1.5693145327E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.2284743790E-05 -2.4146022347E-05  0.0000000000E+00
 -2.4146022347E-05 -1.2284743790E-05  1.5693145327E-04
  0.0000000000E+00  1.5693145327E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.1051327134E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1051327134E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3124918414E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.3777655330E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.3777655330E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.9719391598E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.5729062899E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.0116457320E-04  7.3708462740E-05
  0.0000000000E+00  7.3708462740E-05 -6.6307962806E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.0370354316E-03  7.3708462740E-05
  1.0370354316E-03  0.0000000000E+00  0.0000000000E+00
  7.3708462740E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  7.3708462740E-05  9.4158871959E-04
  7.3708462740E-05  0.0000000000E+00  0.0000000000E+00
  9.4158871959E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.0370354316E-03  7.3708462740E-05
  1.0370354316E-03  0.0000000000E+00  0.0000000000E+00
  7.3708462740E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.0116457320E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5729062899E-03 -7.3708462740E-05
  0.0000000000E+00 -7.3708462740E-05 -6.6307962806E-04

 Crystal Tensor_qq(ke,je,3,2)
  7.3708462740E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3708462740E-05  9.4158871959E-04
  0.0000000000E+00  9.4158871959E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  7.3708462740E-05  9.4158871959E-04
  7.3708462740E-05  0.0000000000E+00  0.0000000000E+00
  9.4158871959E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  7.3708462740E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3708462740E-05  9.4158871959E-04
  0.0000000000E+00  9.4158871959E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -6.6307962806E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.6307962806E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3874951048E-03

 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  6.48147E-02  6.48147E-02  6.47192E-02  5.78202E-02  5.06610E-02  5.78202E-02  6.00997E-02
   dip-dip  6.37777E-02  6.37777E-02  6.37777E-02  5.67485E-02  4.97194E-02  5.67485E-02  5.90916E-02
   qua-qua  1.03704E-03  1.03704E-03  9.41589E-04  1.07164E-03  9.41589E-04  1.07164E-03  1.00808E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.29225E-03  2.63372E-17 -4.14263E-03  1.95238E-17
   dip-dip  0.00000E+00  2.77620E-17  0.00000E+00  2.27784E-17
   qua-qua -1.29225E-03 -1.42478E-18 -4.14263E-03 -3.25465E-18

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

 Energ = -10.50000 eV

 Vmoy = -20.00253 eV, Vmftabs = -23.37767 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -8.586E-06  1.616E-07    9.492E-03 -1.787E-04    1.778E-03 -3.349E-05
  1  0    1  1      2.279E-03 -1.639E-05   -5.831E-02  4.201E-04   -6.606E-03  4.774E-05
  2  0    1  1      4.563E-04 -7.537E-06   -1.909E-02  3.154E-04   -3.651E-03  6.038E-05
  3  0    1  1      1.611E-05 -4.492E-07   -8.896E-04  2.481E-05   -2.188E-04  6.104E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.0162248065E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0162248065E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.7932624812E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  2.7715453695E-04  0.0000000000E+00  1.7474402445E-05
  0.0000000000E+00 -8.4987264363E-05  9.8223842636E-06
  1.7474402445E-05  9.8223842636E-06 -1.2410182459E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.8107090066E-04  9.8223842636E-06
  1.8107090066E-04  0.0000000000E+00 -1.7474402445E-05
  9.8223842636E-06 -1.7474402445E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.7474402445E-05  9.8223842636E-06  1.6121016313E-04
  9.8223842636E-06 -1.7474402445E-05  0.0000000000E+00
  1.6121016313E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.8107090066E-04  9.8223842636E-06
  1.8107090066E-04  0.0000000000E+00 -1.7474402445E-05
  9.8223842636E-06 -1.7474402445E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.4987264363E-05  0.0000000000E+00 -1.7474402445E-05
  0.0000000000E+00  2.7715453695E-04 -9.8223842636E-06
 -1.7474402445E-05 -9.8223842636E-06 -1.2410182459E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  9.8223842636E-06 -1.7474402445E-05  0.0000000000E+00
 -1.7474402445E-05 -9.8223842636E-06  1.6121016313E-04
  0.0000000000E+00  1.6121016313E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.7474402445E-05  9.8223842636E-06  1.6121016313E-04
  9.8223842636E-06 -1.7474402445E-05  0.0000000000E+00
  1.6121016313E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  9.8223842636E-06 -1.7474402445E-05  0.0000000000E+00
 -1.7474402445E-05 -9.8223842636E-06  1.6121016313E-04
  0.0000000000E+00  1.6121016313E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.2410182459E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2410182459E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5507942021E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.0973488387E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.0973488387E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6759574887E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.6629272217E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.0992358618E-04  5.8934305581E-05
  0.0000000000E+00  5.8934305581E-05 -7.4461094752E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.0864254040E-03  5.8934305581E-05
  1.0864254040E-03  0.0000000000E+00  0.0000000000E+00
  5.8934305581E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  5.8934305581E-05  9.6726097875E-04
  5.8934305581E-05  0.0000000000E+00  0.0000000000E+00
  9.6726097875E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.0864254040E-03  5.8934305581E-05
  1.0864254040E-03  0.0000000000E+00  0.0000000000E+00
  5.8934305581E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.0992358618E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6629272217E-03 -5.8934305581E-05
  0.0000000000E+00 -5.8934305581E-05 -7.4461094752E-04

 Crystal Tensor_qq(ke,je,3,2)
  5.8934305581E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.8934305581E-05  9.6726097875E-04
  0.0000000000E+00  9.6726097875E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  5.8934305581E-05  9.6726097875E-04
  5.8934305581E-05  0.0000000000E+00  0.0000000000E+00
  9.6726097875E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  5.8934305581E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.8934305581E-05  9.6726097875E-04
  0.0000000000E+00  9.6726097875E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -7.4461094752E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.4461094752E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5304765213E-03

 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  6.20599E-02  6.20599E-02  6.19407E-02  5.50372E-02  4.77268E-02  5.50372E-02  5.72967E-02
   dip-dip  6.09735E-02  6.09735E-02  6.09735E-02  5.38665E-02  4.67596E-02  5.38665E-02  5.62355E-02
   qua-qua  1.08643E-03  1.08643E-03  9.67261E-04  1.17066E-03  9.67261E-04  1.17066E-03  1.06122E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -9.35206E-04  2.70562E-17 -2.99805E-03  2.06735E-17
   dip-dip  0.00000E+00  2.80697E-17  0.00000E+00  2.30309E-17
   qua-qua -9.35206E-04 -1.01354E-18 -2.99805E-03 -2.35740E-18

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

 Energ = -10.40000 eV

 Vmoy = -20.00453 eV, Vmftabs = -23.37747 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -8.410E-06  1.552E-07    9.298E-03 -1.715E-04    1.742E-03 -3.216E-05
  1  0    1  1      2.268E-03 -1.566E-05   -5.801E-02  4.014E-04   -6.572E-03  4.561E-05
  2  0    1  1      4.488E-04 -7.233E-06   -1.877E-02  3.027E-04   -3.590E-03  5.794E-05
  3  0    1  1      1.567E-05 -4.281E-07   -8.652E-04  2.365E-05   -2.128E-04  5.818E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.6697574674E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.6697574674E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.3386578172E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  2.9621736940E-04  0.0000000000E+00  1.0009936219E-05
  0.0000000000E+00 -8.7270271024E-05  7.0543729297E-06
  1.0009936219E-05  7.0543729297E-06 -1.4051937707E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.9174382021E-04  7.0543729297E-06
  1.9174382021E-04  0.0000000000E+00 -1.0009936219E-05
  7.0543729297E-06 -1.0009936219E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.0009936219E-05  7.0543729297E-06  1.6691711706E-04
  7.0543729297E-06 -1.0009936219E-05  0.0000000000E+00
  1.6691711706E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.9174382021E-04  7.0543729297E-06
  1.9174382021E-04  0.0000000000E+00 -1.0009936219E-05
  7.0543729297E-06 -1.0009936219E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.7270271024E-05  0.0000000000E+00 -1.0009936219E-05
  0.0000000000E+00  2.9621736940E-04 -7.0543729297E-06
 -1.0009936219E-05 -7.0543729297E-06 -1.4051937707E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  7.0543729297E-06 -1.0009936219E-05  0.0000000000E+00
 -1.0009936219E-05 -7.0543729297E-06  1.6691711706E-04
  0.0000000000E+00  1.6691711706E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.0009936219E-05  7.0543729297E-06  1.6691711706E-04
  7.0543729297E-06 -1.0009936219E-05  0.0000000000E+00
  1.6691711706E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.0543729297E-06 -1.0009936219E-05  0.0000000000E+00
 -1.0009936219E-05 -7.0543729297E-06  1.6691711706E-04
  0.0000000000E+00  1.6691711706E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.4051937707E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4051937707E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8406239933E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.8018544804E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8018544804E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.4031946903E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.7773042164E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.2362162614E-04  4.2326237578E-05
  0.0000000000E+00  4.2326237578E-05 -8.4311626241E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.1504629213E-03  4.2326237578E-05
  1.1504629213E-03  0.0000000000E+00  0.0000000000E+00
  4.2326237578E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.2326237578E-05  1.0015027024E-03
  4.2326237578E-05  0.0000000000E+00  0.0000000000E+00
  1.0015027024E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.1504629213E-03  4.2326237578E-05
  1.1504629213E-03  0.0000000000E+00  0.0000000000E+00
  4.2326237578E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.2362162614E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7773042164E-03 -4.2326237578E-05
  0.0000000000E+00 -4.2326237578E-05 -8.4311626241E-04

 Crystal Tensor_qq(ke,je,3,2)
  4.2326237578E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2326237578E-05  1.0015027024E-03
  0.0000000000E+00  1.0015027024E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.2326237578E-05  1.0015027024E-03
  4.2326237578E-05  0.0000000000E+00  0.0000000000E+00
  1.0015027024E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.2326237578E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2326237578E-05  1.0015027024E-03
  0.0000000000E+00  1.0015027024E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -8.4311626241E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.4311626241E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7043743960E-03

 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  5.91690E-02  5.91690E-02  5.90200E-02  5.23172E-02  4.50334E-02  5.23172E-02  5.44850E-02
   dip-dip  5.80185E-02  5.80185E-02  5.80185E-02  5.10252E-02  4.40319E-02  5.10252E-02  5.33563E-02
   qua-qua  1.15046E-03  1.15046E-03  1.00150E-03  1.29198E-03  1.00150E-03  1.29198E-03  1.12862E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -5.35725E-04  2.70725E-17 -1.71741E-03  2.13110E-17
   dip-dip  0.00000E+00  2.76212E-17  0.00000E+00  2.26629E-17
   qua-qua -5.35725E-04 -5.48703E-19 -1.71741E-03 -1.35196E-18

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

 Energ = -10.30000 eV

 Vmoy = -20.00648 eV, Vmftabs = -23.37726 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -8.241E-06  1.491E-07    9.112E-03 -1.648E-04    1.707E-03 -3.090E-05
  1  0    1  1      2.257E-03 -1.495E-05   -5.773E-02  3.833E-04   -6.540E-03  4.357E-05
  2  0    1  1      4.415E-04 -6.945E-06   -1.846E-02  2.906E-04   -3.532E-03  5.564E-05
  3  0    1  1      1.525E-05 -4.084E-07   -8.419E-04  2.256E-05   -2.070E-04  5.550E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.1757620855E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1757620855E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.9218632143E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.2016168962E-04  0.0000000000E+00  1.3977988116E-06
  0.0000000000E+00 -9.0318877329E-05  3.8500369357E-06
  1.3977988116E-06  3.8500369357E-06 -1.6056675474E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.0524028347E-04  3.8500369357E-06
  2.0524028347E-04  0.0000000000E+00 -1.3977988116E-06
  3.8500369357E-06 -1.3977988116E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.3977988116E-06  3.8500369357E-06  1.7427966374E-04
  3.8500369357E-06 -1.3977988116E-06  0.0000000000E+00
  1.7427966374E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.0524028347E-04  3.8500369357E-06
  2.0524028347E-04  0.0000000000E+00 -1.3977988116E-06
  3.8500369357E-06 -1.3977988116E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -9.0318877329E-05  0.0000000000E+00 -1.3977988116E-06
  0.0000000000E+00  3.2016168962E-04 -3.8500369357E-06
 -1.3977988116E-06 -3.8500369357E-06 -1.6056675474E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  3.8500369357E-06 -1.3977988116E-06  0.0000000000E+00
 -1.3977988116E-06 -3.8500369357E-06  1.7427966374E-04
  0.0000000000E+00  1.7427966374E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.3977988116E-06  3.8500369357E-06  1.7427966374E-04
  3.8500369357E-06 -1.3977988116E-06  0.0000000000E+00
  1.7427966374E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.8500369357E-06 -1.3977988116E-06  0.0000000000E+00
 -1.3977988116E-06 -3.8500369357E-06  1.7427966374E-04
  0.0000000000E+00  1.7427966374E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.6056675474E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6056675474E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1964608302E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.5054572513E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.5054572513E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.1531179286E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.9209701377E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.4191326398E-04  2.3100221614E-05
  0.0000000000E+00  2.3100221614E-05 -9.6340052844E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2314417008E-03  2.3100221614E-05
  1.2314417008E-03  0.0000000000E+00  0.0000000000E+00
  2.3100221614E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.3100221614E-05  1.0456779824E-03
  2.3100221614E-05  0.0000000000E+00  0.0000000000E+00
  1.0456779824E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2314417008E-03  2.3100221614E-05
  1.2314417008E-03  0.0000000000E+00  0.0000000000E+00
  2.3100221614E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.4191326398E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9209701377E-03 -2.3100221614E-05
  0.0000000000E+00 -2.3100221614E-05 -9.6340052844E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.3100221614E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3100221614E-05  1.0456779824E-03
  0.0000000000E+00  1.0456779824E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.3100221614E-05  1.0456779824E-03
  2.3100221614E-05  0.0000000000E+00  0.0000000000E+00
  1.0456779824E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.3100221614E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3100221614E-05  1.0456779824E-03
  0.0000000000E+00  1.0456779824E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -9.6340052844E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.6340052844E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9178764981E-03

 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  5.62860E-02  5.62860E-02  5.61003E-02  4.97343E-02  4.25769E-02  4.97343E-02  5.17599E-02
   dip-dip  5.50546E-02  5.50546E-02  5.50546E-02  4.82929E-02  4.15312E-02  4.82929E-02  5.05468E-02
   qua-qua  1.23144E-03  1.23144E-03  1.04568E-03  1.44141E-03  1.04568E-03  1.44141E-03  1.21313E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.48102E-05  2.66980E-17 -2.39824E-04  2.17220E-17
   dip-dip  0.00000E+00  2.67068E-17  0.00000E+00  2.19127E-17
   qua-qua -7.48102E-05 -8.77754E-21 -2.39824E-04 -1.90690E-19

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

 Energ = -10.20000 eV

 Vmoy = -20.00837 eV, Vmftabs = -23.37706 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -8.080E-06  1.434E-07    8.933E-03 -1.585E-04    1.673E-03 -2.971E-05
  1  0    1  1      2.246E-03 -1.428E-05   -5.747E-02  3.660E-04   -6.510E-03  4.161E-05
  2  0    1  1      4.345E-04 -6.674E-06   -1.817E-02  2.793E-04   -3.476E-03  5.347E-05
  3  0    1  1      1.484E-05 -3.899E-07   -8.197E-04  2.154E-05   -2.016E-04  5.299E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.6957392110E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.6957392110E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.5409932130E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.5018168217E-04  0.0000000000E+00 -8.8047910635E-06
  0.0000000000E+00 -9.4122409784E-05  4.2057208242E-08
 -8.8047910635E-06  4.2057208242E-08 -1.8534289208E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.2215204598E-04  4.2057208242E-08
  2.2215204598E-04  0.0000000000E+00  8.8047910635E-06
  4.2057208242E-08  8.8047910635E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -8.8047910635E-06  4.2057208242E-08  1.8362174671E-04
  4.2057208242E-08  8.8047910635E-06  0.0000000000E+00
  1.8362174671E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.2215204598E-04  4.2057208242E-08
  2.2215204598E-04  0.0000000000E+00  8.8047910635E-06
  4.2057208242E-08  8.8047910635E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -9.4122409784E-05  0.0000000000E+00  8.8047910635E-06
  0.0000000000E+00  3.5018168217E-04 -4.2057208242E-08
  8.8047910635E-06 -4.2057208242E-08 -1.8534289208E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  4.2057208242E-08  8.8047910635E-06  0.0000000000E+00
  8.8047910635E-06 -4.2057208242E-08  1.8362174671E-04
  0.0000000000E+00  1.8362174671E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -8.8047910635E-06  4.2057208242E-08  1.8362174671E-04
  4.2057208242E-08  8.8047910635E-06  0.0000000000E+00
  1.8362174671E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.2057208242E-08  8.8047910635E-06  0.0000000000E+00
  8.8047910635E-06 -4.2057208242E-08  1.8362174671E-04
  0.0000000000E+00  1.8362174671E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.8534289208E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8534289208E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6382239105E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.2174435266E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2174435266E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9245959278E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.1010900930E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6473445870E-04  2.5234324945E-07
  0.0000000000E+00  2.5234324945E-07 -1.1120573525E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.3329122759E-03  2.5234324945E-07
  1.3329122759E-03  0.0000000000E+00  0.0000000000E+00
  2.5234324945E-07  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.5234324945E-07  1.1017304803E-03
  2.5234324945E-07  0.0000000000E+00  0.0000000000E+00
  1.1017304803E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.3329122759E-03  2.5234324945E-07
  1.3329122759E-03  0.0000000000E+00  0.0000000000E+00
  2.5234324945E-07  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.6473445870E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1010900930E-03 -2.5234324945E-07
  0.0000000000E+00 -2.5234324945E-07 -1.1120573525E-03

 Crystal Tensor_qq(ke,je,3,2)
  2.5234324945E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5234324945E-07  1.1017304803E-03
  0.0000000000E+00  1.1017304803E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.5234324945E-07  1.1017304803E-03
  2.5234324945E-07  0.0000000000E+00  0.0000000000E+00
  1.1017304803E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.5234324945E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5234324945E-07  1.1017304803E-03
  0.0000000000E+00  1.1017304803E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.1120573525E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1120573525E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1829343463E-03

 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  5.35073E-02  5.35073E-02  5.32762E-02  4.73372E-02  4.03477E-02  4.73372E-02  4.91838E-02
   dip-dip  5.21744E-02  5.21744E-02  5.21744E-02  4.57102E-02  3.92460E-02  4.57102E-02  4.78649E-02
   qua-qua  1.33291E-03  1.33291E-03  1.10173E-03  1.62703E-03  1.10173E-03  1.62703E-03  1.31887E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  4.71239E-04  2.61660E-17  1.51068E-03  2.21350E-17
   dip-dip  0.00000E+00  2.55322E-17  0.00000E+00  2.09489E-17
   qua-qua  4.71239E-04  6.33800E-19  1.51068E-03  1.18610E-18

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

 Energ = -10.10000 eV

 Vmoy = -20.01019 eV, Vmftabs = -23.37686 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -7.925E-06  1.380E-07    8.762E-03 -1.525E-04    1.641E-03 -2.859E-05
  1  0    1  1      2.236E-03 -1.363E-05   -5.721E-02  3.493E-04   -6.482E-03  3.972E-05
  2  0    1  1      4.278E-04 -6.417E-06   -1.789E-02  2.685E-04   -3.422E-03  5.141E-05
  3  0    1  1      1.446E-05 -3.726E-07   -7.985E-04  2.058E-05   -1.964E-04  5.063E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.2390209070E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.2390209070E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.1936392752E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.8795167027E-04  0.0000000000E+00 -2.1183031373E-05
  0.0000000000E+00 -9.8681808512E-05 -4.5931542909E-06
 -2.1183031373E-05 -4.5931542909E-06 -2.1637289869E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.4331673939E-04 -4.5931542909E-06
  2.4331673939E-04  0.0000000000E+00  2.1183031373E-05
 -4.5931542909E-06  2.1183031373E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -2.1183031373E-05 -4.5931542909E-06  1.9537993129E-04
 -4.5931542909E-06  2.1183031373E-05  0.0000000000E+00
  1.9537993129E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.4331673939E-04 -4.5931542909E-06
  2.4331673939E-04  0.0000000000E+00  2.1183031373E-05
 -4.5931542909E-06  2.1183031373E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -9.8681808512E-05  0.0000000000E+00  2.1183031373E-05
  0.0000000000E+00  3.8795167027E-04  4.5931542909E-06
  2.1183031373E-05  4.5931542909E-06 -2.1637289869E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.5931542909E-06  2.1183031373E-05  0.0000000000E+00
  2.1183031373E-05  4.5931542909E-06  1.9537993129E-04
  0.0000000000E+00  1.9537993129E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -2.1183031373E-05 -4.5931542909E-06  1.9537993129E-04
 -4.5931542909E-06  2.1183031373E-05  0.0000000000E+00
  1.9537993129E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.5931542909E-06  2.1183031373E-05  0.0000000000E+00
  2.1183031373E-05  4.5931542909E-06  1.9537993129E-04
  0.0000000000E+00  1.9537993129E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.1637289869E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1637289869E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.1935809877E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.9434125442E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9434125442E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7161835651E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.3277100216E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.9209085107E-04 -2.7558925745E-05
  0.0000000000E+00 -2.7558925745E-05 -1.2982373922E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.4599004363E-03 -2.7558925745E-05
  1.4599004363E-03  0.0000000000E+00  0.0000000000E+00
 -2.7558925745E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.7558925745E-05  1.1722795877E-03
 -2.7558925745E-05  0.0000000000E+00  0.0000000000E+00
  1.1722795877E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.4599004363E-03 -2.7558925745E-05
  1.4599004363E-03  0.0000000000E+00  0.0000000000E+00
 -2.7558925745E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.9209085107E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3277100216E-03  2.7558925745E-05
  0.0000000000E+00  2.7558925745E-05 -1.2982373922E-03

 Crystal Tensor_qq(ke,je,3,2)
 -2.7558925745E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7558925745E-05  1.1722795877E-03
  0.0000000000E+00  1.1722795877E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.7558925745E-05  1.1722795877E-03
 -2.7558925745E-05  0.0000000000E+00  0.0000000000E+00
  1.1722795877E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.7558925745E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7558925745E-05  1.1722795877E-03
  0.0000000000E+00  1.1722795877E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.2982373922E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2982373922E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5161485926E-03

 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  5.08940E-02  5.08940E-02  5.06064E-02  4.51581E-02  3.83341E-02  4.51581E-02  4.67949E-02
   dip-dip  4.94341E-02  4.94341E-02  4.94341E-02  4.32980E-02  3.71618E-02  4.32980E-02  4.53434E-02
   qua-qua  1.45990E-03  1.45990E-03  1.17228E-03  1.86008E-03  1.17228E-03  1.86008E-03  1.45157E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.13375E-03  2.56526E-17  3.63452E-03  2.27434E-17
   dip-dip  0.00000E+00  2.42366E-17  0.00000E+00  1.98859E-17
   qua-qua  1.13375E-03  1.41594E-18  3.63452E-03  2.85747E-18

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

 Energ = -10.00000 eV

 Vmoy = -20.01193 eV, Vmftabs = -23.37666 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -7.776E-06  1.328E-07    8.597E-03 -1.468E-04    1.610E-03 -2.753E-05
  1  0    1  1      2.227E-03 -1.300E-05   -5.698E-02  3.333E-04   -6.455E-03  3.789E-05
  2  0    1  1      4.213E-04 -6.174E-06   -1.762E-02  2.584E-04   -3.370E-03  4.947E-05
  3  0    1  1      1.409E-05 -3.563E-07   -7.783E-04  1.968E-05   -1.914E-04  4.842E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.8105266297E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.8105266297E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.8771297306E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  4.3578448525E-04  0.0000000000E+00 -3.6541730567E-05
  0.0000000000E+00 -1.0396175233E-04 -1.0364838022E-05
 -3.6541730567E-05 -1.0364838022E-05 -2.5579415580E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.6987311879E-04 -1.0364838022E-05
  2.6987311879E-04  0.0000000000E+00  3.6541730567E-05
 -1.0364838022E-05  3.6541730567E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.6541730567E-05 -1.0364838022E-05  2.1011152824E-04
 -1.0364838022E-05  3.6541730567E-05  0.0000000000E+00
  2.1011152824E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.6987311879E-04 -1.0364838022E-05
  2.6987311879E-04  0.0000000000E+00  3.6541730567E-05
 -1.0364838022E-05  3.6541730567E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.0396175233E-04  0.0000000000E+00  3.6541730567E-05
  0.0000000000E+00  4.3578448525E-04  1.0364838022E-05
  3.6541730567E-05  1.0364838022E-05 -2.5579415580E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.0364838022E-05  3.6541730567E-05  0.0000000000E+00
  3.6541730567E-05  1.0364838022E-05  2.1011152824E-04
  0.0000000000E+00  2.1011152824E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.6541730567E-05 -1.0364838022E-05  2.1011152824E-04
 -1.0364838022E-05  3.6541730567E-05  0.0000000000E+00
  2.1011152824E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.0364838022E-05  3.6541730567E-05  0.0000000000E+00
  3.6541730567E-05  1.0364838022E-05  2.1011152824E-04
  0.0000000000E+00  2.1011152824E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.5579415580E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5579415580E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.9013056187E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.6863159778E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6863159778E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5262778383E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.6147069115E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.2377051401E-04 -6.2189028132E-05
  0.0000000000E+00 -6.2189028132E-05 -1.5347649348E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.6192387128E-03 -6.2189028132E-05
  1.6192387128E-03  0.0000000000E+00  0.0000000000E+00
 -6.2189028132E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -6.2189028132E-05  1.2606691694E-03
 -6.2189028132E-05  0.0000000000E+00  0.0000000000E+00
  1.2606691694E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.6192387128E-03 -6.2189028132E-05
  1.6192387128E-03  0.0000000000E+00  0.0000000000E+00
 -6.2189028132E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.2377051401E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6147069115E-03  6.2189028132E-05
  0.0000000000E+00  6.2189028132E-05 -1.5347649348E-03

 Crystal Tensor_qq(ke,je,3,2)
 -6.2189028132E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2189028132E-05  1.2606691694E-03
  0.0000000000E+00  1.2606691694E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -6.2189028132E-05  1.2606691694E-03
 -6.2189028132E-05  0.0000000000E+00  0.0000000000E+00
  1.2606691694E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -6.2189028132E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2189028132E-05  1.2606691694E-03
  0.0000000000E+00  1.2606691694E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.5347649348E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5347649348E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9407833712E-03

 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  4.84824E-02  4.84824E-02  4.81238E-02  4.32192E-02  3.65234E-02  4.32192E-02  4.46154E-02
   dip-dip  4.68632E-02  4.68632E-02  4.68632E-02  4.10630E-02  3.52628E-02  4.10630E-02  4.29964E-02
   qua-qua  1.61924E-03  1.61924E-03  1.26067E-03  2.15626E-03  1.26067E-03  2.15626E-03  1.61902E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.95579E-03  2.52987E-17  6.26980E-03  2.37297E-17
   dip-dip  0.00000E+00  2.29100E-17  0.00000E+00  1.87974E-17
   qua-qua  1.95579E-03  2.38874E-18  6.26980E-03  4.93227E-18

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

 Energ =  -9.90000 eV

 Vmoy = -20.01363 eV, Vmftabs = -23.37646 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -7.632E-06  1.280E-07    8.438E-03 -1.415E-04    1.581E-03 -2.653E-05
  1  0    1  1      2.219E-03 -1.239E-05   -5.676E-02  3.177E-04   -6.430E-03  3.614E-05
  2  0    1  1      4.151E-04 -5.943E-06   -1.736E-02  2.487E-04   -3.321E-03  4.762E-05
  3  0    1  1      1.374E-05 -3.410E-07   -7.589E-04  1.884E-05   -1.866E-04  4.634E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.3953493936E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3953493936E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.5845112652E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  4.9717577483E-04  0.0000000000E+00 -5.6040001846E-05
  0.0000000000E+00 -1.0994803932E-04 -1.7675114805E-05
 -5.6040001846E-05 -1.7675114805E-05 -3.0686141674E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.0356190707E-04 -1.7675114805E-05
  3.0356190707E-04  0.0000000000E+00  5.6040001846E-05
 -1.7675114805E-05  5.6040001846E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -5.6040001846E-05 -1.7675114805E-05  2.2869565360E-04
 -1.7675114805E-05  5.6040001846E-05  0.0000000000E+00
  2.2869565360E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.0356190707E-04 -1.7675114805E-05
  3.0356190707E-04  0.0000000000E+00  5.6040001846E-05
 -1.7675114805E-05  5.6040001846E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.0994803932E-04  0.0000000000E+00  5.6040001846E-05
  0.0000000000E+00  4.9717577483E-04  1.7675114805E-05
  5.6040001846E-05  1.7675114805E-05 -3.0686141674E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.7675114805E-05  5.6040001846E-05  0.0000000000E+00
  5.6040001846E-05  1.7675114805E-05  2.2869565360E-04
  0.0000000000E+00  2.2869565360E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -5.6040001846E-05 -1.7675114805E-05  2.2869565360E-04
 -1.7675114805E-05  5.6040001846E-05  0.0000000000E+00
  2.2869565360E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.7675114805E-05  5.6040001846E-05  0.0000000000E+00
  5.6040001846E-05  1.7675114805E-05  2.2869565360E-04
  0.0000000000E+00  2.2869565360E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.0686141674E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0686141674E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.8187430313E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.4372096362E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4372096362E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3507067591E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.9830546490E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.5968823591E-04 -1.0605068883E-04
  0.0000000000E+00 -1.0605068883E-04 -1.8411685005E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.8213714424E-03 -1.0605068883E-04
  1.8213714424E-03  0.0000000000E+00  0.0000000000E+00
 -1.0605068883E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.0605068883E-04  1.3721739216E-03
 -1.0605068883E-04  0.0000000000E+00  0.0000000000E+00
  1.3721739216E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.8213714424E-03 -1.0605068883E-04
  1.8213714424E-03  0.0000000000E+00  0.0000000000E+00
 -1.0605068883E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.5968823591E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9830546490E-03  1.0605068883E-04
  0.0000000000E+00  1.0605068883E-04 -1.8411685005E-03

 Crystal Tensor_qq(ke,je,3,2)
 -1.0605068883E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0605068883E-04  1.3721739216E-03
  0.0000000000E+00  1.3721739216E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.0605068883E-04  1.3721739216E-03
 -1.0605068883E-04  0.0000000000E+00  0.0000000000E+00
  1.3721739216E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.0605068883E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0605068883E-04  1.3721739216E-03
  0.0000000000E+00  1.3721739216E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.8411685005E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8411685005E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4912458188E-03

 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  4.61935E-02  4.61935E-02  4.57443E-02  4.14787E-02  3.48792E-02  4.14787E-02  4.25835E-02
   dip-dip  4.43721E-02  4.43721E-02  4.43721E-02  3.89396E-02  3.35071E-02  3.89396E-02  4.07504E-02
   qua-qua  1.82137E-03  1.82137E-03  1.37217E-03  2.53916E-03  1.37217E-03  2.53916E-03  1.83310E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.99942E-03  2.50818E-17  9.61542E-03  2.51724E-17
   dip-dip  0.00000E+00  2.14580E-17  0.00000E+00  1.76061E-17
   qua-qua  2.99942E-03  3.62382E-18  9.61542E-03  7.56631E-18

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

 Energ =  -9.80000 eV

 Vmoy = -20.01526 eV, Vmftabs = -23.37626 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -7.494E-06  1.234E-07    8.286E-03 -1.364E-04    1.552E-03 -2.558E-05
  1  0    1  1      2.210E-03 -1.181E-05   -5.655E-02  3.028E-04   -6.406E-03  3.444E-05
  2  0    1  1      4.091E-04 -5.725E-06   -1.711E-02  2.396E-04   -3.273E-03  4.587E-05
  3  0    1  1      1.341E-05 -3.266E-07   -7.404E-04  1.804E-05   -1.821E-04  4.438E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.0290577600E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.0290577600E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.3227070340E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  5.7662400985E-04  0.0000000000E+00 -8.1387938473E-05
  0.0000000000E+00 -1.1624827601E-04 -2.7270542767E-05
 -8.1387938473E-05 -2.7270542767E-05 -3.7390907305E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.4643614293E-04 -2.7270542767E-05
  3.4643614293E-04  0.0000000000E+00  8.1387938473E-05
 -2.7270542767E-05  8.1387938473E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -8.1387938473E-05 -2.7270542767E-05  2.5190568376E-04
 -2.7270542767E-05  8.1387938473E-05  0.0000000000E+00
  2.5190568376E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.4643614293E-04 -2.7270542767E-05
  3.4643614293E-04  0.0000000000E+00  8.1387938473E-05
 -2.7270542767E-05  8.1387938473E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.1624827601E-04  0.0000000000E+00  8.1387938473E-05
  0.0000000000E+00  5.7662400985E-04  2.7270542767E-05
  8.1387938473E-05  2.7270542767E-05 -3.7390907305E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -2.7270542767E-05  8.1387938473E-05  0.0000000000E+00
  8.1387938473E-05  2.7270542767E-05  2.5190568376E-04
  0.0000000000E+00  2.5190568376E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -8.1387938473E-05 -2.7270542767E-05  2.5190568376E-04
 -2.7270542767E-05  8.1387938473E-05  0.0000000000E+00
  2.5190568376E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -2.7270542767E-05  8.1387938473E-05  0.0000000000E+00
  8.1387938473E-05  2.7270542767E-05  2.5190568376E-04
  0.0000000000E+00  2.5190568376E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.7390907305E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7390907305E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.0283350571E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.2174346560E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2174346560E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1936242204E-02

 Crystal Tensor_qq(ke,je,1,1)
  3.4597440591E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.9748965607E-04 -1.6362325660E-04
  0.0000000000E+00 -1.6362325660E-04 -2.2434544383E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.0786168576E-03 -1.6362325660E-04
  2.0786168576E-03  0.0000000000E+00  0.0000000000E+00
 -1.6362325660E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.6362325660E-04  1.5114341026E-03
 -1.6362325660E-04  0.0000000000E+00  0.0000000000E+00
  1.5114341026E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.0786168576E-03 -1.6362325660E-04
  2.0786168576E-03  0.0000000000E+00  0.0000000000E+00
 -1.6362325660E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.9748965607E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4597440591E-03  1.6362325660E-04
  0.0000000000E+00  1.6362325660E-04 -2.2434544383E-03

 Crystal Tensor_qq(ke,je,3,2)
 -1.6362325660E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6362325660E-04  1.5114341026E-03
  0.0000000000E+00  1.5114341026E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.6362325660E-04  1.5114341026E-03
 -1.6362325660E-04  0.0000000000E+00  0.0000000000E+00
  1.5114341026E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.6362325660E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6362325660E-04  1.5114341026E-03
  0.0000000000E+00  1.5114341026E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.2434544383E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2434544383E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2170010343E-03

 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  4.42530E-02  4.42530E-02  4.36858E-02  4.00962E-02  3.34477E-02  4.00962E-02  4.08700E-02
   dip-dip  4.21743E-02  4.21743E-02  4.21743E-02  3.70553E-02  3.19362E-02  3.70553E-02  3.87616E-02
   qua-qua  2.07862E-03  2.07862E-03  1.51143E-03  3.04091E-03  1.51143E-03  3.04091E-03  2.10836E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  4.35617E-03  2.54546E-17  1.39648E-02  2.75835E-17
   dip-dip  0.00000E+00  2.02201E-17  0.00000E+00  1.65904E-17
   qua-qua  4.35617E-03  5.23451E-18  1.39648E-02  1.09931E-17

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

 Energ =  -9.70000 eV

 Vmoy = -20.01682 eV, Vmftabs = -23.37606 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -7.362E-06  1.191E-07    8.139E-03 -1.317E-04    1.525E-03 -2.469E-05
  1  0    1  1      2.203E-03 -1.124E-05   -5.635E-02  2.883E-04   -6.384E-03  3.280E-05
  2  0    1  1      4.034E-04 -5.518E-06   -1.687E-02  2.309E-04   -3.227E-03  4.421E-05
  3  0    1  1      1.309E-05 -3.130E-07   -7.227E-04  1.729E-05   -1.777E-04  4.254E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.6923051243E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6923051243E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.0838666250E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  6.8206926802E-04  0.0000000000E+00 -1.1512613169E-04
  0.0000000000E+00 -1.2276876426E-04 -4.0094748938E-05
 -1.1512613169E-04 -4.0094748938E-05 -4.6434569519E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.0241901614E-04 -4.0094748938E-05
  4.0241901614E-04  0.0000000000E+00  1.1512613169E-04
 -4.0094748938E-05  1.1512613169E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.1512613169E-04 -4.0094748938E-05  2.8175855303E-04
 -4.0094748938E-05  1.1512613169E-04  0.0000000000E+00
  2.8175855303E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.0241901614E-04 -4.0094748938E-05
  4.0241901614E-04  0.0000000000E+00  1.1512613169E-04
 -4.0094748938E-05  1.1512613169E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.2276876426E-04  0.0000000000E+00  1.1512613169E-04
  0.0000000000E+00  6.8206926802E-04  4.0094748938E-05
  1.1512613169E-04  4.0094748938E-05 -4.6434569519E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.0094748938E-05  1.1512613169E-04  0.0000000000E+00
  1.1512613169E-04  4.0094748938E-05  2.8175855303E-04
  0.0000000000E+00  2.8175855303E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.1512613169E-04 -4.0094748938E-05  2.8175855303E-04
 -4.0094748938E-05  1.1512613169E-04  0.0000000000E+00
  2.8175855303E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.0094748938E-05  1.1512613169E-04  0.0000000000E+00
  1.1512613169E-04  4.0094748938E-05  2.8175855303E-04
  0.0000000000E+00  2.8175855303E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.6434569519E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6434569519E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.6636048180E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.0153830746E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0153830746E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0503199750E-02

 Crystal Tensor_qq(ke,je,1,1)
  4.0924156081E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3661258556E-04 -2.4056849363E-04
  0.0000000000E+00 -2.4056849363E-04 -2.7860741712E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.4145140968E-03 -2.4056849363E-04
  2.4145140968E-03  0.0000000000E+00  0.0000000000E+00
 -2.4056849363E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.4056849363E-04  1.6905513182E-03
 -2.4056849363E-04  0.0000000000E+00  0.0000000000E+00
  1.6905513182E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.4145140968E-03 -2.4056849363E-04
  2.4145140968E-03  0.0000000000E+00  0.0000000000E+00
 -2.4056849363E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -7.3661258556E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0924156081E-03  2.4056849363E-04
  0.0000000000E+00  2.4056849363E-04 -2.7860741712E-03

 Crystal Tensor_qq(ke,je,3,2)
 -2.4056849363E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4056849363E-04  1.6905513182E-03
  0.0000000000E+00  1.6905513182E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.4056849363E-04  1.6905513182E-03
 -2.4056849363E-04  0.0000000000E+00  0.0000000000E+00
  1.6905513182E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.4056849363E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4056849363E-04  1.6905513182E-03
  0.0000000000E+00  1.6905513182E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.7860741712E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.7860741712E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.1981628908E-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  4.25683E-02  4.25683E-02  4.18444E-02  3.90442E-02  3.21938E-02  3.90442E-02  3.94089E-02
   dip-dip  4.01538E-02  4.01538E-02  4.01538E-02  3.53285E-02  3.05032E-02  3.53285E-02  3.69370E-02
   qua-qua  2.41451E-03  2.41451E-03  1.69055E-03  3.71568E-03  1.69055E-03  3.71568E-03  2.47191E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  6.16204E-03  2.64412E-17  1.97540E-02  3.11944E-17
   dip-dip  0.00000E+00  1.90601E-17  0.00000E+00  1.56386E-17
   qua-qua  6.16204E-03  7.38107E-18  1.97540E-02  1.55558E-17

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

 Energ =  -9.60000 eV

 Vmoy = -20.01832 eV, Vmftabs = -23.37587 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -7.234E-06  1.150E-07    7.998E-03 -1.271E-04    1.498E-03 -2.383E-05
  1  0    1  1      2.196E-03 -1.069E-05   -5.617E-02  2.742E-04   -6.363E-03  3.121E-05
  2  0    1  1      3.978E-04 -5.321E-06   -1.664E-02  2.227E-04   -3.182E-03  4.264E-05
  3  0    1  1      1.278E-05 -3.002E-07   -7.057E-04  1.658E-05   -1.735E-04  4.080E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.3835724073E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.3835724073E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.8657459710E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  8.2616293288E-04  0.0000000000E+00 -1.6127467187E-04
  0.0000000000E+00 -1.2945724006E-04 -5.7709651454E-05
 -1.6127467187E-04 -5.7709651454E-05 -5.8983561833E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.7781008647E-04 -5.7709651454E-05
  4.7781008647E-04  0.0000000000E+00  1.6127467187E-04
 -5.7709651454E-05  1.6127467187E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.6127467187E-04 -5.7709651454E-05  3.2152501895E-04
 -5.7709651454E-05  1.6127467187E-04  0.0000000000E+00
  3.2152501895E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.7781008647E-04 -5.7709651454E-05
  4.7781008647E-04  0.0000000000E+00  1.6127467187E-04
 -5.7709651454E-05  1.6127467187E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.2945724006E-04  0.0000000000E+00  1.6127467187E-04
  0.0000000000E+00  8.2616293288E-04  5.7709651454E-05
  1.6127467187E-04  5.7709651454E-05 -5.8983561833E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -5.7709651454E-05  1.6127467187E-04  0.0000000000E+00
  1.6127467187E-04  5.7709651454E-05  3.2152501895E-04
  0.0000000000E+00  3.2152501895E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.6127467187E-04 -5.7709651454E-05  3.2152501895E-04
 -5.7709651454E-05  1.6127467187E-04  0.0000000000E+00
  3.2152501895E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -5.7709651454E-05  1.6127467187E-04  0.0000000000E+00
  1.6127467187E-04  5.7709651454E-05  3.2152501895E-04
  0.0000000000E+00  3.2152501895E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.8983561833E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.8983561833E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0938645645E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.8301434444E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8301434444E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9194475826E-02

 Crystal Tensor_qq(ke,je,1,1)
  4.9569775973E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.7674344034E-04 -3.4625790873E-04
  0.0000000000E+00 -3.4625790873E-04 -3.5390137100E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.8668605188E-03 -3.4625790873E-04
  2.8668605188E-03  0.0000000000E+00  0.0000000000E+00
 -3.4625790873E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.4625790873E-04  1.9291501137E-03
 -3.4625790873E-04  0.0000000000E+00  0.0000000000E+00
  1.9291501137E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.8668605188E-03 -3.4625790873E-04
  2.8668605188E-03  0.0000000000E+00  0.0000000000E+00
 -3.4625790873E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -7.7674344034E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9569775973E-03  3.4625790873E-04
  0.0000000000E+00  3.4625790873E-04 -3.5390137100E-03

 Crystal Tensor_qq(ke,je,3,2)
 -3.4625790873E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4625790873E-04  1.9291501137E-03
  0.0000000000E+00  1.9291501137E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.4625790873E-04  1.9291501137E-03
 -3.4625790873E-04  0.0000000000E+00  0.0000000000E+00
  1.9291501137E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.4625790873E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4625790873E-04  1.9291501137E-03
  0.0000000000E+00  1.9291501137E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.5390137100E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5390137100E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.5631873867E-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  4.11683E-02  4.11683E-02  4.02306E-02  3.83975E-02  3.11236E-02  3.83975E-02  3.82329E-02
   dip-dip  3.83014E-02  3.83014E-02  3.83014E-02  3.37480E-02  2.91945E-02  3.37480E-02  3.52658E-02
   qua-qua  2.86686E-03  2.86686E-03  1.92915E-03  4.64955E-03  1.92915E-03  4.64955E-03  2.96716E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  8.63221E-03  2.83072E-17  2.76728E-02  3.65566E-17
   dip-dip  0.00000E+00  1.79866E-17  0.00000E+00  1.47578E-17
   qua-qua  8.63221E-03  1.03206E-17  2.76728E-02  2.17988E-17

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

 Energ =  -9.50000 eV

 Vmoy = -20.01973 eV, Vmftabs = -23.37567 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -7.111E-06  1.111E-07    7.862E-03 -1.228E-04    1.473E-03 -2.303E-05
  1  0    1  1      2.189E-03 -1.016E-05   -5.600E-02  2.606E-04   -6.343E-03  2.967E-05
  2  0    1  1      3.925E-04 -5.134E-06   -1.641E-02  2.149E-04   -3.140E-03  4.114E-05
  3  0    1  1      1.248E-05 -2.882E-07   -6.893E-04  1.592E-05   -1.695E-04  3.916E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.1010999019E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1010999019E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6663055246E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0292389983E-03  0.0000000000E+00 -2.2639785140E-04
  0.0000000000E+00 -1.3644198780E-04 -8.2672066488E-05
 -2.2639785140E-04 -8.2672066488E-05 -7.6898434953E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.8284049303E-04 -8.2672066488E-05
  5.8284049303E-04  0.0000000000E+00  2.2639785140E-04
 -8.2672066488E-05  2.2639785140E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -2.2639785140E-04 -8.2672066488E-05  3.7648460771E-04
 -8.2672066488E-05  2.2639785140E-04  0.0000000000E+00
  3.7648460771E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.8284049303E-04 -8.2672066488E-05
  5.8284049303E-04  0.0000000000E+00  2.2639785140E-04
 -8.2672066488E-05  2.2639785140E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.3644198780E-04  0.0000000000E+00  2.2639785140E-04
  0.0000000000E+00  1.0292389983E-03  8.2672066488E-05
  2.2639785140E-04  8.2672066488E-05 -7.6898434953E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -8.2672066488E-05  2.2639785140E-04  0.0000000000E+00
  2.2639785140E-04  8.2672066488E-05  3.7648460771E-04
  0.0000000000E+00  3.7648460771E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -2.2639785140E-04 -8.2672066488E-05  3.7648460771E-04
 -8.2672066488E-05  2.2639785140E-04  0.0000000000E+00
  3.7648460771E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -8.2672066488E-05  2.2639785140E-04  0.0000000000E+00
  2.2639785140E-04  8.2672066488E-05  3.7648460771E-04
  0.0000000000E+00  3.7648460771E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -7.6898434953E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.6898434953E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4195972347E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.6606599412E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6606599412E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7997833148E-02

 Crystal Tensor_qq(ke,je,1,1)
  6.1754339896E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.1865192682E-04 -4.9603239893E-04
  0.0000000000E+00 -4.9603239893E-04 -4.6139060972E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.4970429582E-03 -4.9603239893E-04
  3.4970429582E-03  0.0000000000E+00  0.0000000000E+00
 -4.9603239893E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.9603239893E-04  2.2589076463E-03
 -4.9603239893E-04  0.0000000000E+00  0.0000000000E+00
  2.2589076463E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.4970429582E-03 -4.9603239893E-04
  3.4970429582E-03  0.0000000000E+00  0.0000000000E+00
 -4.9603239893E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -8.1865192682E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1754339896E-03  4.9603239893E-04
  0.0000000000E+00  4.9603239893E-04 -4.6139060972E-03

 Crystal Tensor_qq(ke,je,3,2)
 -4.9603239893E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9603239893E-04  2.2589076463E-03
  0.0000000000E+00  2.2589076463E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.9603239893E-04  2.2589076463E-03
 -4.9603239893E-04  0.0000000000E+00  0.0000000000E+00
  2.2589076463E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.9603239893E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9603239893E-04  2.2589076463E-03
  0.0000000000E+00  2.2589076463E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.6139060972E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6139060972E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.5175834081E-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  4.01036E-02  4.01036E-02  3.88655E-02  3.82824E-02  3.02567E-02  3.82824E-02  3.74010E-02
   dip-dip  3.66066E-02  3.66066E-02  3.66066E-02  3.23022E-02  2.79978E-02  3.23022E-02  3.37370E-02
   qua-qua  3.49704E-03  3.49704E-03  2.25891E-03  5.98021E-03  2.25891E-03  5.98021E-03  3.66397E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.21181E-02  3.14760E-17  3.88477E-02  4.45620E-17
   dip-dip  0.00000E+00  1.70028E-17  0.00000E+00  1.39507E-17
   qua-qua  1.21181E-02  1.44731E-17  3.88477E-02  3.06113E-17

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

 Energ =  -9.40000 eV

 Vmoy = -20.02107 eV, Vmftabs = -23.37548 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.992E-06  1.074E-07    7.730E-03 -1.187E-04    1.448E-03 -2.226E-05
  1  0    1  1      2.183E-03 -9.645E-06   -5.584E-02  2.475E-04   -6.325E-03  2.817E-05
  2  0    1  1      3.873E-04 -4.956E-06   -1.620E-02  2.074E-04   -3.098E-03  3.971E-05
  3  0    1  1      1.220E-05 -2.768E-07   -6.737E-04  1.529E-05   -1.657E-04  3.761E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 2

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.8430694965E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8430694965E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.4837101649E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3243156496E-03  0.0000000000E+00 -3.2167355571E-04
  0.0000000000E+00 -1.4498412715E-04 -1.1934764150E-04
 -3.2167355571E-04 -1.1934764150E-04 -1.0311437089E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.3464988837E-04 -1.1934764150E-04
  7.3464988837E-04  0.0000000000E+00  3.2167355571E-04
 -1.1934764150E-04  3.2167355571E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.2167355571E-04 -1.1934764150E-04  4.5533909365E-04
 -1.1934764150E-04  3.2167355571E-04  0.0000000000E+00
  4.5533909365E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.3464988837E-04 -1.1934764150E-04
  7.3464988837E-04  0.0000000000E+00  3.2167355571E-04
 -1.1934764150E-04  3.2167355571E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.4498412715E-04  0.0000000000E+00  3.2167355571E-04
  0.0000000000E+00  1.3243156496E-03  1.1934764150E-04
  3.2167355571E-04  1.1934764150E-04 -1.0311437089E-03

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.1934764150E-04  3.2167355571E-04  0.0000000000E+00
  3.2167355571E-04  1.1934764150E-04  4.5533909365E-04
  0.0000000000E+00  4.5533909365E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.2167355571E-04 -1.1934764150E-04  4.5533909365E-04
 -1.1934764150E-04  3.2167355571E-04  0.0000000000E+00
  4.5533909365E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.1934764150E-04  3.2167355571E-04  0.0000000000E+00
  3.2167355571E-04  1.1934764150E-04  4.5533909365E-04
  0.0000000000E+00  4.5533909365E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.0311437089E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0311437089E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8977966358E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.5058416979E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5058416979E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6902260989E-02

 Crystal Tensor_qq(ke,je,1,1)
  7.9458938976E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.6990476291E-04 -7.1608584900E-04
  0.0000000000E+00 -7.1608584900E-04 -6.1868622534E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.4078993302E-03 -7.1608584900E-04
  4.4078993302E-03  0.0000000000E+00  0.0000000000E+00
 -7.1608584900E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.1608584900E-04  2.7320345619E-03
 -7.1608584900E-04  0.0000000000E+00  0.0000000000E+00
  2.7320345619E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.4078993302E-03 -7.1608584900E-04
  4.4078993302E-03  0.0000000000E+00  0.0000000000E+00
 -7.1608584900E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -8.6990476291E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9458938976E-03  7.1608584900E-04
  0.0000000000E+00  7.1608584900E-04 -6.1868622534E-03

 Crystal Tensor_qq(ke,je,3,2)
 -7.1608584900E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1608584900E-04  2.7320345619E-03
  0.0000000000E+00  2.7320345619E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.1608584900E-04  2.7320345619E-03
 -7.1608584900E-04  0.0000000000E+00  0.0000000000E+00
  2.7320345619E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.1608584900E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1608584900E-04  2.7320345619E-03
  0.0000000000E+00  2.7320345619E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -6.1868622534E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.1868622534E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1386779815E-02

 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  3.94663E-02  3.94663E-02  3.77905E-02  3.89069E-02  2.96343E-02  3.89069E-02  3.70156E-02
   dip-dip  3.50584E-02  3.50584E-02  3.50584E-02  3.09803E-02  2.69023E-02  3.09803E-02  3.23397E-02
   qua-qua  4.40790E-03  4.40790E-03  2.73203E-03  7.92660E-03  2.73203E-03  7.92660E-03  4.67587E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.72180E-02  3.66633E-17  5.51967E-02  5.67249E-17
   dip-dip  0.00000E+00  1.61091E-17  0.00000E+00  1.32174E-17
   qua-qua  1.72180E-02  2.05542E-17  5.51967E-02  4.35075E-17

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

 Energ =  -9.30000 eV

 Vmoy = -20.02235 eV, Vmftabs = -23.37529 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.877E-06  1.039E-07    7.603E-03 -1.149E-04    1.424E-03 -2.153E-05
  1  0    1  1      2.177E-03 -9.144E-06   -5.569E-02  2.346E-04   -6.308E-03  2.672E-05
  2  0    1  1      3.824E-04 -4.786E-06   -1.599E-02  2.003E-04   -3.058E-03  3.836E-05
  3  0    1  1      1.193E-05 -2.660E-07   -6.587E-04  1.469E-05   -1.620E-04  3.615E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.5928263747E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.5928263747E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.3187630682E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.7694989773E-03  0.0000000000E+00 -4.6680099525E-04
  0.0000000000E+00 -1.5856104114E-04 -1.7546227735E-04
 -4.6680099525E-04 -1.7546227735E-04 -1.4276866632E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  9.6403000920E-04 -1.7546227735E-04
  9.6403000920E-04  0.0000000000E+00  4.6680099525E-04
 -1.7546227735E-04  4.6680099525E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -4.6680099525E-04 -1.7546227735E-04  5.7297716925E-04
 -1.7546227735E-04  4.6680099525E-04  0.0000000000E+00
  5.7297716925E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  9.6403000920E-04 -1.7546227735E-04
  9.6403000920E-04  0.0000000000E+00  4.6680099525E-04
 -1.7546227735E-04  4.6680099525E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.5856104114E-04  0.0000000000E+00  4.6680099525E-04
  0.0000000000E+00  1.7694989773E-03  1.7546227735E-04
  4.6680099525E-04  1.7546227735E-04 -1.4276866632E-03

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.7546227735E-04  4.6680099525E-04  0.0000000000E+00
  4.6680099525E-04  1.7546227735E-04  5.7297716925E-04
  0.0000000000E+00  5.7297716925E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -4.6680099525E-04 -1.7546227735E-04  5.7297716925E-04
 -1.7546227735E-04  4.6680099525E-04  0.0000000000E+00
  5.7297716925E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.7546227735E-04  4.6680099525E-04  0.0000000000E+00
  4.6680099525E-04  1.7546227735E-04  5.7297716925E-04
  0.0000000000E+00  5.7297716925E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.4276866632E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4276866632E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6249367967E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.3556958248E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3556958248E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5912578409E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.0616993864E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.5136624681E-04 -1.0527736641E-03
  0.0000000000E+00 -1.0527736641E-03 -8.5661199791E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.7841800552E-03 -1.0527736641E-03
  5.7841800552E-03  0.0000000000E+00  0.0000000000E+00
 -1.0527736641E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.0527736641E-03  3.4378630155E-03
 -1.0527736641E-03  0.0000000000E+00  0.0000000000E+00
  3.4378630155E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.7841800552E-03 -1.0527736641E-03
  5.7841800552E-03  0.0000000000E+00  0.0000000000E+00
 -1.0527736641E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -9.5136624681E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0616993864E-02  1.0527736641E-03
  0.0000000000E+00  1.0527736641E-03 -8.5661199791E-03

 Crystal Tensor_qq(ke,je,3,2)
 -1.0527736641E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0527736641E-03  3.4378630155E-03
  0.0000000000E+00  3.4378630155E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.0527736641E-03  3.4378630155E-03
 -1.0527736641E-03  0.0000000000E+00  0.0000000000E+00
  3.4378630155E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.0527736641E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0527736641E-03  3.4378630155E-03
  0.0000000000E+00  3.4378630155E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -8.5661199791E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.5661199791E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5749620780E-02

 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  3.93411E-02  3.93411E-02  3.69948E-02  4.06095E-02  2.93504E-02  4.06095E-02  3.72120E-02
   dip-dip  3.35570E-02  3.35570E-02  3.35570E-02  2.97348E-02  2.59126E-02  2.97348E-02  3.10088E-02
   qua-qua  5.78418E-03  5.78418E-03  3.43786E-03  1.08747E-02  3.43786E-03  1.08747E-02  6.20313E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.49865E-02  4.49324E-17  8.01006E-02  7.55470E-17
   dip-dip  0.00000E+00  1.50985E-17  0.00000E+00  1.23882E-17
   qua-qua  2.49865E-02  2.98339E-17  8.01006E-02  6.31588E-17

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

 Energ =  -9.20000 eV

 Vmoy = -20.02356 eV, Vmftabs = -23.37509 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.767E-06  1.006E-07    7.481E-03 -1.112E-04    1.401E-03 -2.084E-05
  1  0    1  1      2.172E-03 -8.657E-06   -5.555E-02  2.222E-04   -6.293E-03  2.531E-05
  2  0    1  1      3.775E-04 -4.624E-06   -1.579E-02  1.935E-04   -3.020E-03  3.706E-05
  3  0    1  1      1.167E-05 -2.558E-07   -6.442E-04  1.413E-05   -1.584E-04  3.476E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.3800151571E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3800151571E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.1654110438E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  2.4402393172E-03  0.0000000000E+00 -6.9904284783E-04
  0.0000000000E+00 -2.1237394609E-04 -2.6564934028E-04
 -6.9904284783E-04 -2.6564934028E-04 -1.9958122881E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.3263066317E-03 -2.6564934028E-04
  1.3263066317E-03  0.0000000000E+00  6.9904284783E-04
 -2.6564934028E-04  6.9904284783E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -6.9904284783E-04 -2.6564934028E-04  7.5819694607E-04
 -2.6564934028E-04  6.9904284783E-04  0.0000000000E+00
  7.5819694607E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.3263066317E-03 -2.6564934028E-04
  1.3263066317E-03  0.0000000000E+00  6.9904284783E-04
 -2.6564934028E-04  6.9904284783E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.1237394609E-04  0.0000000000E+00  6.9904284783E-04
  0.0000000000E+00  2.4402393172E-03  2.6564934028E-04
  6.9904284783E-04  2.6564934028E-04 -1.9958122881E-03

 Tensor_qq(ke,je,3,2), prototypical atom
 -2.6564934028E-04  6.9904284783E-04  0.0000000000E+00
  6.9904284783E-04  2.6564934028E-04  7.5819694607E-04
  0.0000000000E+00  7.5819694607E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -6.9904284783E-04 -2.6564934028E-04  7.5819694607E-04
 -2.6564934028E-04  6.9904284783E-04  0.0000000000E+00
  7.5819694607E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -2.6564934028E-04  6.9904284783E-04  0.0000000000E+00
  6.9904284783E-04  2.6564934028E-04  7.5819694607E-04
  0.0000000000E+00  7.5819694607E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.9958122881E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9958122881E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6699142133E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.2280090942E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2280090942E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4992466263E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.4641435903E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2742436765E-03 -1.5938960417E-03
  0.0000000000E+00 -1.5938960417E-03 -1.1974873729E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  7.9578397899E-03 -1.5938960417E-03
  7.9578397899E-03  0.0000000000E+00  0.0000000000E+00
 -1.5938960417E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.5938960417E-03  4.5491816764E-03
 -1.5938960417E-03  0.0000000000E+00  0.0000000000E+00
  4.5491816764E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  7.9578397899E-03 -1.5938960417E-03
  7.9578397899E-03  0.0000000000E+00  0.0000000000E+00
 -1.5938960417E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.2742436765E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4641435903E-02  1.5938960417E-03
  0.0000000000E+00  1.5938960417E-03 -1.1974873729E-02

 Crystal Tensor_qq(ke,je,3,2)
 -1.5938960417E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5938960417E-03  4.5491816764E-03
  0.0000000000E+00  4.5491816764E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.5938960417E-03  4.5491816764E-03
 -1.5938960417E-03  0.0000000000E+00  0.0000000000E+00
  4.5491816764E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.5938960417E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5938960417E-03  4.5491816764E-03
  0.0000000000E+00  4.5491816764E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.1974873729E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1974873729E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2019485280E-02

 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  4.02379E-02  4.02379E-02  3.68293E-02  4.37889E-02  2.95416E-02  4.37889E-02  3.83639E-02
   dip-dip  3.22801E-02  3.22801E-02  3.22801E-02  2.86363E-02  2.49925E-02  2.86363E-02  2.98509E-02
   qua-qua  7.95784E-03  7.95784E-03  4.54918E-03  1.51527E-02  4.54918E-03  1.51527E-02  8.51300E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  3.74181E-02  5.90715E-17  1.19954E-01  1.06411E-16
   dip-dip  0.00000E+00  1.43941E-17  0.00000E+00  1.18102E-17
   qua-qua  3.74181E-02  4.46775E-17  1.19954E-01  9.46012E-17

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

 Energ =  -9.10000 eV

 Vmoy = -20.02473 eV, Vmftabs = -23.37490 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.660E-06  9.738E-08    7.363E-03 -1.076E-04    1.379E-03 -2.018E-05
  1  0    1  1      2.167E-03 -8.182E-06   -5.543E-02  2.100E-04   -6.279E-03  2.393E-05
  2  0    1  1      3.729E-04 -4.470E-06   -1.559E-02  1.871E-04   -2.983E-03  3.583E-05
  3  0    1  1      1.142E-05 -2.461E-07   -6.303E-04  1.359E-05   -1.550E-04  3.345E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.1867983678E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1867983678E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0245587235E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.4337883320E-03  0.0000000000E+00 -1.0871305845E-03
  0.0000000000E+00 -4.1967868148E-04 -4.1707559474E-04
 -1.0871305845E-03 -4.1707559474E-04 -2.7244449439E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.9267335067E-03 -4.1707559474E-04
  1.9267335067E-03  0.0000000000E+00  1.0871305845E-03
 -4.1707559474E-04  1.0871305845E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.0871305845E-03 -4.1707559474E-04  1.0632061253E-03
 -4.1707559474E-04  1.0871305845E-03  0.0000000000E+00
  1.0632061253E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.9267335067E-03 -4.1707559474E-04
  1.9267335067E-03  0.0000000000E+00  1.0871305845E-03
 -4.1707559474E-04  1.0871305845E-03  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.1967868148E-04  0.0000000000E+00  1.0871305845E-03
  0.0000000000E+00  3.4337883320E-03  4.1707559474E-04
  1.0871305845E-03  4.1707559474E-04 -2.7244449439E-03

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.1707559474E-04  1.0871305845E-03  0.0000000000E+00
  1.0871305845E-03  4.1707559474E-04  1.0632061253E-03
  0.0000000000E+00  1.0632061253E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.0871305845E-03 -4.1707559474E-04  1.0632061253E-03
 -4.1707559474E-04  1.0871305845E-03  0.0000000000E+00
  1.0632061253E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.1707559474E-04  1.0871305845E-03  0.0000000000E+00
  1.0871305845E-03  4.1707559474E-04  1.0632061253E-03
  0.0000000000E+00  1.0632061253E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.7244449439E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.7244449439E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.0189689212E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.1120790207E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1120790207E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4147352341E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.0602729992E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5180720889E-03 -2.5024535684E-03
  0.0000000000E+00 -2.5024535684E-03 -1.6346669663E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.1560401040E-02 -2.5024535684E-03
  1.1560401040E-02  0.0000000000E+00  0.0000000000E+00
 -2.5024535684E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.5024535684E-03  6.3792367521E-03
 -2.5024535684E-03  0.0000000000E+00  0.0000000000E+00
  6.3792367521E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.1560401040E-02 -2.5024535684E-03
  1.1560401040E-02  0.0000000000E+00  0.0000000000E+00
 -2.5024535684E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.5180720889E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0602729992E-02  2.5024535684E-03
  0.0000000000E+00  2.5024535684E-03 -1.6346669663E-02

 Crystal Tensor_qq(ke,je,3,2)
 -2.5024535684E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5024535684E-03  6.3792367521E-03
  0.0000000000E+00  6.3792367521E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.5024535684E-03  6.3792367521E-03
 -2.5024535684E-03  0.0000000000E+00  0.0000000000E+00
  6.3792367521E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.5024535684E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5024535684E-03  6.3792367521E-03
  0.0000000000E+00  6.3792367521E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.6346669663E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6346669663E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0113813527E-02

 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  4.26812E-02  4.26812E-02  3.75000E-02  4.84865E-02  3.05266E-02  4.84865E-02  4.07621E-02
   dip-dip  3.11208E-02  3.11208E-02  3.11208E-02  2.76341E-02  2.41474E-02  2.76341E-02  2.87963E-02
   qua-qua  1.15604E-02  1.15604E-02  6.37924E-03  2.08525E-02  6.37924E-03  2.08525E-02  1.19658E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  5.81923E-02  8.32443E-17  1.86551E-01  1.58425E-16
   dip-dip  0.00000E+00  1.37737E-17  0.00000E+00  1.13012E-17
   qua-qua  5.81923E-02  6.94706E-17  1.86551E-01  1.47124E-16

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

 Energ =  -9.00000 eV

 Vmoy = -20.02588 eV, Vmftabs = -23.37471 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.556E-06  9.434E-08    7.248E-03 -1.043E-04    1.358E-03 -1.955E-05
  1  0    1  1      2.162E-03 -7.720E-06   -5.531E-02  1.982E-04   -6.266E-03  2.259E-05
  2  0    1  1      3.684E-04 -4.323E-06   -1.541E-02  1.809E-04   -2.947E-03  3.465E-05
  3  0    1  1      1.117E-05 -2.369E-07   -6.170E-04  1.309E-05   -1.517E-04  3.220E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.0119922330E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0119922330E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8950711237E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  4.7840405458E-03  0.0000000000E+00 -1.7439363725E-03
  0.0000000000E+00 -1.0911557552E-03 -6.7476643860E-04
 -1.7439363725E-03 -6.7476643860E-04 -3.3626266504E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.9375981505E-03 -6.7476643860E-04
  2.9375981505E-03  0.0000000000E+00  1.7439363725E-03
 -6.7476643860E-04  1.7439363725E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.7439363725E-03 -6.7476643860E-04  1.5739422280E-03
 -6.7476643860E-04  1.7439363725E-03  0.0000000000E+00
  1.5739422280E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.9375981505E-03 -6.7476643860E-04
  2.9375981505E-03  0.0000000000E+00  1.7439363725E-03
 -6.7476643860E-04  1.7439363725E-03  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.0911557552E-03  0.0000000000E+00  1.7439363725E-03
  0.0000000000E+00  4.7840405458E-03  6.7476643860E-04
  1.7439363725E-03  6.7476643860E-04 -3.3626266504E-03

 Tensor_qq(ke,je,3,2), prototypical atom
 -6.7476643860E-04  1.7439363725E-03  0.0000000000E+00
  1.7439363725E-03  6.7476643860E-04  1.5739422280E-03
  0.0000000000E+00  1.5739422280E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.7439363725E-03 -6.7476643860E-04  1.5739422280E-03
 -6.7476643860E-04  1.7439363725E-03  0.0000000000E+00
  1.5739422280E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -6.7476643860E-04  1.7439363725E-03  0.0000000000E+00
  1.7439363725E-03  6.7476643860E-04  1.5739422280E-03
  0.0000000000E+00  1.5739422280E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.3626266504E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3626266504E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.2172346982E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.0071953398E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0071953398E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3370426742E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.8704243275E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.5469345313E-03 -4.0485986316E-03
  0.0000000000E+00 -4.0485986316E-03 -2.0175759903E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.7625588903E-02 -4.0485986316E-03
  1.7625588903E-02  0.0000000000E+00  0.0000000000E+00
 -4.0485986316E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.0485986316E-03  9.4436533681E-03
 -4.0485986316E-03  0.0000000000E+00  0.0000000000E+00
  9.4436533681E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.7625588903E-02 -4.0485986316E-03
  1.7625588903E-02  0.0000000000E+00  0.0000000000E+00
 -4.0485986316E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.5469345313E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8704243275E-02  4.0485986316E-03
  0.0000000000E+00  4.0485986316E-03 -2.0175759903E-02

 Crystal Tensor_qq(ke,je,3,2)
 -4.0485986316E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0485986316E-03  9.4436533681E-03
  0.0000000000E+00  9.4436533681E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.0485986316E-03  9.4436533681E-03
 -4.0485986316E-03  0.0000000000E+00  0.0000000000E+00
  9.4436533681E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.0485986316E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0485986316E-03  9.4436533681E-03
  0.0000000000E+00  9.4436533681E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.0175759903E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0175759903E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7303408189E-02

 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  4.76975E-02  4.76975E-02  3.95156E-02  5.33110E-02  3.28141E-02  5.33110E-02  4.45814E-02
   dip-dip  3.00720E-02  3.00720E-02  3.00720E-02  2.67212E-02  2.33704E-02  2.67212E-02  2.78381E-02
   qua-qua  1.76256E-02  1.76256E-02  9.44365E-03  2.65898E-02  9.44365E-03  2.65898E-02  1.67433E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  9.33513E-02  1.24620E-16  2.99262E-01  2.46811E-16
   dip-dip  0.00000E+00  1.32368E-17  0.00000E+00  1.08607E-17
   qua-qua  9.33513E-02  1.11383E-16  2.99262E-01  2.35950E-16

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

 Energ =  -8.90000 eV

 Vmoy = -20.02698 eV, Vmftabs = -23.37452 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.456E-06  9.143E-08    7.137E-03 -1.011E-04    1.337E-03 -1.895E-05
  1  0    1  1      2.158E-03 -7.268E-06   -5.521E-02  1.866E-04   -6.254E-03  2.128E-05
  2  0    1  1      3.641E-04 -4.182E-06   -1.522E-02  1.750E-04   -2.912E-03  3.352E-05
  3  0    1  1      1.094E-05 -2.282E-07   -6.041E-04  1.261E-05   -1.486E-04  3.102E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.8547108487E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8547108487E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7759872498E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  6.3238701718E-03  0.0000000000E+00 -2.7229763823E-03
  0.0000000000E+00 -2.5619425740E-03 -1.0618525105E-03
 -2.7229763823E-03 -1.0618525105E-03 -3.4461640573E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.4429063729E-03 -1.0618525105E-03
  4.4429063729E-03  0.0000000000E+00  2.7229763823E-03
 -1.0618525105E-03  2.7229763823E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -2.7229763823E-03 -1.0618525105E-03  2.3310934333E-03
 -1.0618525105E-03  2.7229763823E-03  0.0000000000E+00
  2.3310934333E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.4429063729E-03 -1.0618525105E-03
  4.4429063729E-03  0.0000000000E+00  2.7229763823E-03
 -1.0618525105E-03  2.7229763823E-03  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.5619425740E-03  0.0000000000E+00  2.7229763823E-03
  0.0000000000E+00  6.3238701718E-03  1.0618525105E-03
  2.7229763823E-03  1.0618525105E-03 -3.4461640573E-03

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.0618525105E-03  2.7229763823E-03  0.0000000000E+00
  2.7229763823E-03  1.0618525105E-03  2.3310934333E-03
  0.0000000000E+00  2.3310934333E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -2.7229763823E-03 -1.0618525105E-03  2.3310934333E-03
 -1.0618525105E-03  2.7229763823E-03  0.0000000000E+00
  2.3310934333E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.0618525105E-03  2.7229763823E-03  0.0000000000E+00
  2.7229763823E-03  1.0618525105E-03  2.3310934333E-03
  0.0000000000E+00  2.3310934333E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.4461640573E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4461640573E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.4069661064E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.9128265092E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9128265092E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2655923499E-02

 Crystal Tensor_qq(ke,je,1,1)
  3.7943221031E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5371655444E-02 -6.3711150628E-03
  0.0000000000E+00 -6.3711150628E-03 -2.0676984344E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.6657438237E-02 -6.3711150628E-03
  2.6657438237E-02  0.0000000000E+00  0.0000000000E+00
 -6.3711150628E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -6.3711150628E-03  1.3986560600E-02
 -6.3711150628E-03  0.0000000000E+00  0.0000000000E+00
  1.3986560600E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.6657438237E-02 -6.3711150628E-03
  2.6657438237E-02  0.0000000000E+00  0.0000000000E+00
 -6.3711150628E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.5371655444E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7943221031E-02  6.3711150628E-03
  0.0000000000E+00  6.3711150628E-03 -2.0676984344E-02

 Crystal Tensor_qq(ke,je,3,2)
 -6.3711150628E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.3711150628E-03  1.3986560600E-02
  0.0000000000E+00  1.3986560600E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -6.3711150628E-03  1.3986560600E-02
 -6.3711150628E-03  0.0000000000E+00  0.0000000000E+00
  1.3986560600E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -6.3711150628E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.3711150628E-03  1.3986560600E-02
  0.0000000000E+00  1.3986560600E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.0676984344E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0676984344E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8441796638E-02

 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  5.57857E-02  5.57857E-02  4.31148E-02  5.53268E-02  3.66425E-02  5.53268E-02  4.93005E-02
   dip-dip  2.91283E-02  2.91283E-02  2.91283E-02  2.58921E-02  2.26559E-02  2.58921E-02  2.69708E-02
   qua-qua  2.66574E-02  2.66574E-02  1.39866E-02  2.94347E-02  1.39866E-02  2.94347E-02  2.23297E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.45760E-01  1.86634E-16  4.67272E-01  3.78778E-16
   dip-dip  0.00000E+00  1.27843E-17  0.00000E+00  1.04894E-17
   qua-qua  1.45760E-01  1.73850E-16  4.67272E-01  3.68289E-16

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

 Energ =  -8.80000 eV

 Vmoy = -20.02803 eV, Vmftabs = -23.37433 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.358E-06  8.866E-08    7.030E-03 -9.800E-05    1.317E-03 -1.838E-05
  1  0    1  1      2.155E-03 -6.827E-06   -5.512E-02  1.754E-04   -6.244E-03  2.000E-05
  2  0    1  1      3.599E-04 -4.048E-06   -1.505E-02  1.694E-04   -2.878E-03  3.244E-05
  3  0    1  1      1.072E-05 -2.200E-07   -5.917E-04  1.215E-05   -1.455E-04  2.990E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.7143764144E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7143764144E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6664798503E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  7.2031028008E-03  0.0000000000E+00 -3.4778882632E-03
  0.0000000000E+00 -4.0313844693E-03 -1.3663717025E-03
 -3.4778882632E-03 -1.3663717025E-03 -2.9200096833E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.6172436351E-03 -1.3663717025E-03
  5.6172436351E-03  0.0000000000E+00  3.4778882632E-03
 -1.3663717025E-03  3.4778882632E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.4778882632E-03 -1.3663717025E-03  2.9189701923E-03
 -1.3663717025E-03  3.4778882632E-03  0.0000000000E+00
  2.9189701923E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.6172436351E-03 -1.3663717025E-03
  5.6172436351E-03  0.0000000000E+00  3.4778882632E-03
 -1.3663717025E-03  3.4778882632E-03  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.0313844693E-03  0.0000000000E+00  3.4778882632E-03
  0.0000000000E+00  7.2031028008E-03  1.3663717025E-03
  3.4778882632E-03  1.3663717025E-03 -2.9200096833E-03

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.3663717025E-03  3.4778882632E-03  0.0000000000E+00
  3.4778882632E-03  1.3663717025E-03  2.9189701923E-03
  0.0000000000E+00  2.9189701923E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.4778882632E-03 -1.3663717025E-03  2.9189701923E-03
 -1.3663717025E-03  3.4778882632E-03  0.0000000000E+00
  2.9189701923E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.3663717025E-03  3.4778882632E-03  0.0000000000E+00
  3.4778882632E-03  1.3663717025E-03  2.9189701923E-03
  0.0000000000E+00  2.9189701923E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.9200096833E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9200096833E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.4694987164E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.8286258486E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8286258486E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1998879102E-02

 Crystal Tensor_qq(ke,je,1,1)
  4.3218616805E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4188306816E-02 -8.1982302151E-03
  0.0000000000E+00 -8.1982302151E-03 -1.7520058100E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.3703461810E-02 -8.1982302151E-03
  3.3703461810E-02  0.0000000000E+00  0.0000000000E+00
 -8.1982302151E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -8.1982302151E-03  1.7513821154E-02
 -8.1982302151E-03  0.0000000000E+00  0.0000000000E+00
  1.7513821154E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.3703461810E-02 -8.1982302151E-03
  3.3703461810E-02  0.0000000000E+00  0.0000000000E+00
 -8.1982302151E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.4188306816E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3218616805E-02  8.1982302151E-03
  0.0000000000E+00  8.1982302151E-03 -1.7520058100E-02

 Crystal Tensor_qq(ke,je,3,2)
 -8.1982302151E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.1982302151E-03  1.7513821154E-02
  0.0000000000E+00  1.7513821154E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -8.1982302151E-03  1.7513821154E-02
 -8.1982302151E-03  0.0000000000E+00  0.0000000000E+00
  1.7513821154E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -8.1982302151E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.1982302151E-03  1.7513821154E-02
  0.0000000000E+00  1.7513821154E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.7520058100E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7520058100E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2816992298E-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  6.19897E-02  6.19897E-02  4.58001E-02  5.29115E-02  3.95127E-02  5.29115E-02  5.18355E-02
   dip-dip  2.82863E-02  2.82863E-02  2.82863E-02  2.51426E-02  2.19989E-02  2.51426E-02  2.61905E-02
   qua-qua  3.37035E-02  3.37035E-02  1.75138E-02  2.77689E-02  1.75138E-02  2.77689E-02  2.56451E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.86173E-01  2.34686E-16  5.96826E-01  4.80588E-16
   dip-dip  0.00000E+00  1.24191E-17  0.00000E+00  1.01897E-17
   qua-qua  1.86173E-01  2.22266E-16  5.96826E-01  4.70399E-16

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

 Energ =  -8.70000 eV

 Vmoy = -20.02903 eV, Vmftabs = -23.37415 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.264E-06  8.601E-08    6.926E-03 -9.507E-05    1.297E-03 -1.783E-05
  1  0    1  1      2.152E-03 -6.396E-06   -5.504E-02  1.643E-04   -6.234E-03  1.875E-05
  2  0    1  1      3.558E-04 -3.919E-06   -1.488E-02  1.640E-04   -2.846E-03  3.142E-05
  3  0    1  1      1.050E-05 -2.121E-07   -5.798E-04  1.172E-05   -1.426E-04  2.883E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.5907597498E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5907597498E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5658658999E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  6.1708304012E-03  0.0000000000E+00 -3.0288849059E-03
  0.0000000000E+00 -3.7668209989E-03 -1.1987639090E-03
 -3.0288849059E-03 -1.1987639090E-03 -2.2227818798E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.9688257001E-03 -1.1987639090E-03
  4.9688257001E-03  0.0000000000E+00  3.0288849059E-03
 -1.1987639090E-03  3.0288849059E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.0288849059E-03 -1.1987639090E-03  2.5928221200E-03
 -1.1987639090E-03  3.0288849059E-03  0.0000000000E+00
  2.5928221200E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.9688257001E-03 -1.1987639090E-03
  4.9688257001E-03  0.0000000000E+00  3.0288849059E-03
 -1.1987639090E-03  3.0288849059E-03  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.7668209989E-03  0.0000000000E+00  3.0288849059E-03
  0.0000000000E+00  6.1708304012E-03  1.1987639090E-03
  3.0288849059E-03  1.1987639090E-03 -2.2227818798E-03

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.1987639090E-03  3.0288849059E-03  0.0000000000E+00
  3.0288849059E-03  1.1987639090E-03  2.5928221200E-03
  0.0000000000E+00  2.5928221200E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.0288849059E-03 -1.1987639090E-03  2.5928221200E-03
 -1.1987639090E-03  3.0288849059E-03  0.0000000000E+00
  2.5928221200E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.1987639090E-03  3.0288849059E-03  0.0000000000E+00
  3.0288849059E-03  1.1987639090E-03  2.5928221200E-03
  0.0000000000E+00  2.5928221200E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.2227818798E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2227818798E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2032501835E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.7544558499E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7544558499E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1395195399E-02

 Crystal Tensor_qq(ke,je,1,1)
  3.7024982407E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2600925993E-02 -7.1925834542E-03
  0.0000000000E+00 -7.1925834542E-03 -1.3336691279E-02

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.9812954200E-02 -7.1925834542E-03
  2.9812954200E-02  0.0000000000E+00  0.0000000000E+00
 -7.1925834542E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.1925834542E-03  1.5556932720E-02
 -7.1925834542E-03  0.0000000000E+00  0.0000000000E+00
  1.5556932720E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.9812954200E-02 -7.1925834542E-03
  2.9812954200E-02  0.0000000000E+00  0.0000000000E+00
 -7.1925834542E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.2600925993E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7024982407E-02  7.1925834542E-03
  0.0000000000E+00  7.1925834542E-03 -1.3336691279E-02

 Crystal Tensor_qq(ke,je,3,2)
 -7.1925834542E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1925834542E-03  1.5556932720E-02
  0.0000000000E+00  1.5556932720E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.1925834542E-03  1.5556932720E-02
 -7.1925834542E-03  0.0000000000E+00  0.0000000000E+00
  1.5556932720E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.1925834542E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1925834542E-03  1.5556932720E-02
  0.0000000000E+00  1.5556932720E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.3336691279E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3336691279E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5219501101E-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  5.73575E-02  5.73575E-02  4.31015E-02  4.66993E-02  3.69521E-02  4.66993E-02  4.75831E-02
   dip-dip  2.75446E-02  2.75446E-02  2.75446E-02  2.44699E-02  2.13952E-02  2.44699E-02  2.54948E-02
   qua-qua  2.98130E-02  2.98130E-02  1.55569E-02  2.22295E-02  1.55569E-02  2.22295E-02  2.20883E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.62140E-01  2.06274E-16  5.19781E-01  4.19844E-16
   dip-dip  0.00000E+00  1.21466E-17  0.00000E+00  9.96620E-18
   qua-qua  1.62140E-01  1.94127E-16  5.19781E-01  4.09877E-16

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

 Energ =  -8.60000 eV

 Vmoy = -20.03000 eV, Vmftabs = -23.37396 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.173E-06  8.348E-08    6.825E-03 -9.227E-05    1.279E-03 -1.730E-05
  1  0    1  1      2.149E-03 -5.974E-06   -5.497E-02  1.535E-04   -6.226E-03  1.753E-05
  2  0    1  1      3.519E-04 -3.796E-06   -1.471E-02  1.589E-04   -2.814E-03  3.043E-05
  3  0    1  1      1.029E-05 -2.047E-07   -5.683E-04  1.131E-05   -1.397E-04  2.782E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.4840626328E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4840626328E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4736128490E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  4.3074987905E-03  0.0000000000E+00 -1.9882290612E-03
  0.0000000000E+00 -2.5308062824E-03 -7.9293283094E-04
 -1.9882290612E-03 -7.9293283094E-04 -1.6494195487E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.4191525364E-03 -7.9293283094E-04
  3.4191525364E-03  0.0000000000E+00  1.9882290612E-03
 -7.9293283094E-04  1.9882290612E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.9882290612E-03 -7.9293283094E-04  1.8193067586E-03
 -7.9293283094E-04  1.9882290612E-03  0.0000000000E+00
  1.8193067586E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.4191525364E-03 -7.9293283094E-04
  3.4191525364E-03  0.0000000000E+00  1.9882290612E-03
 -7.9293283094E-04  1.9882290612E-03  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.5308062824E-03  0.0000000000E+00  1.9882290612E-03
  0.0000000000E+00  4.3074987905E-03  7.9293283094E-04
  1.9882290612E-03  7.9293283094E-04 -1.6494195487E-03

 Tensor_qq(ke,je,3,2), prototypical atom
 -7.9293283094E-04  1.9882290612E-03  0.0000000000E+00
  1.9882290612E-03  7.9293283094E-04  1.8193067586E-03
  0.0000000000E+00  1.8193067586E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.9882290612E-03 -7.9293283094E-04  1.8193067586E-03
 -7.9293283094E-04  1.9882290612E-03  0.0000000000E+00
  1.8193067586E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -7.9293283094E-04  1.9882290612E-03  0.0000000000E+00
  1.9882290612E-03  7.9293283094E-04  1.8193067586E-03
  0.0000000000E+00  1.8193067586E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.6494195487E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6494195487E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1553283895E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.6904375797E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6904375797E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0841677094E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.5844992743E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5184837694E-02 -4.7575969856E-03
  0.0000000000E+00 -4.7575969856E-03 -9.8965172920E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.0514915219E-02 -4.7575969856E-03
  2.0514915219E-02  0.0000000000E+00  0.0000000000E+00
 -4.7575969856E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.7575969856E-03  1.0915840552E-02
 -4.7575969856E-03  0.0000000000E+00  0.0000000000E+00
  1.0915840552E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.0514915219E-02 -4.7575969856E-03
  2.0514915219E-02  0.0000000000E+00  0.0000000000E+00
 -4.7575969856E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.5184837694E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5844992743E-02  4.7575969856E-03
  0.0000000000E+00  4.7575969856E-03 -9.8965172920E-03

 Crystal Tensor_qq(ke,je,3,2)
 -4.7575969856E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7575969856E-03  1.0915840552E-02
  0.0000000000E+00  1.0915840552E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.7575969856E-03  1.0915840552E-02
 -4.7575969856E-03  0.0000000000E+00  0.0000000000E+00
  1.0915840552E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.7575969856E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7575969856E-03  1.0915840552E-02
  0.0000000000E+00  1.0915840552E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -9.8965172920E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.8965172920E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8931970337E-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  4.74193E-02  4.74193E-02  3.78202E-02  4.00155E-02  3.17575E-02  4.00155E-02  4.03928E-02
   dip-dip  2.69044E-02  2.69044E-02  2.69044E-02  2.38730E-02  2.08417E-02  2.38730E-02  2.48835E-02
   qua-qua  2.05149E-02  2.05149E-02  1.09158E-02  1.61425E-02  1.09158E-02  1.61425E-02  1.55093E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.06434E-01  1.40022E-16  3.41201E-01  2.79128E-16
   dip-dip  0.00000E+00  1.19756E-17  0.00000E+00  9.82587E-18
   qua-qua  1.06434E-01  1.28046E-16  3.41201E-01  2.69302E-16

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

 Energ =  -8.50000 eV

 Vmoy = -20.03093 eV, Vmftabs = -23.37377 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -6.085E-06  8.106E-08    6.727E-03 -8.959E-05    1.260E-03 -1.680E-05
  1  0    1  1      2.147E-03 -5.559E-06   -5.491E-02  1.429E-04   -6.219E-03  1.632E-05
  2  0    1  1      3.481E-04 -3.678E-06   -1.455E-02  1.540E-04   -2.784E-03  2.949E-05
  3  0    1  1      1.009E-05 -1.976E-07   -5.572E-04  1.091E-05   -1.370E-04  2.685E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.3950772325E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3950772325E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3893628554E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  2.9208963490E-03  0.0000000000E+00 -1.2006369945E-03
  0.0000000000E+00 -1.5854004852E-03 -4.8289185964E-04
 -1.2006369945E-03 -4.8289185964E-04 -1.2451259093E-03

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.2531484171E-03 -4.8289185964E-04
  2.2531484171E-03  0.0000000000E+00  1.2006369945E-03
 -4.8289185964E-04  1.2006369945E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.2006369945E-03 -4.8289185964E-04  1.2412326525E-03
 -4.8289185964E-04  1.2006369945E-03  0.0000000000E+00
  1.2412326525E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.2531484171E-03 -4.8289185964E-04
  2.2531484171E-03  0.0000000000E+00  1.2006369945E-03
 -4.8289185964E-04  1.2006369945E-03  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.5854004852E-03  0.0000000000E+00  1.2006369945E-03
  0.0000000000E+00  2.9208963490E-03  4.8289185964E-04
  1.2006369945E-03  4.8289185964E-04 -1.2451259093E-03

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.8289185964E-04  1.2006369945E-03  0.0000000000E+00
  1.2006369945E-03  4.8289185964E-04  1.2412326525E-03
  0.0000000000E+00  1.2412326525E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.2006369945E-03 -4.8289185964E-04  1.2412326525E-03
 -4.8289185964E-04  1.2006369945E-03  0.0000000000E+00
  1.2412326525E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.8289185964E-04  1.2006369945E-03  0.0000000000E+00
  1.2006369945E-03  4.8289185964E-04  1.2412326525E-03
  0.0000000000E+00  1.2412326525E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.2451259093E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2451259093E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4146654274E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.6370463395E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6370463395E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0336177132E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.7525378094E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.5124029112E-03 -2.8973511578E-03
  0.0000000000E+00 -2.8973511578E-03 -7.4707554556E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.3518890503E-02 -2.8973511578E-03
  1.3518890503E-02  0.0000000000E+00  0.0000000000E+00
 -2.8973511578E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.8973511578E-03  7.4473959150E-03
 -2.8973511578E-03  0.0000000000E+00  0.0000000000E+00
  7.4473959150E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.3518890503E-02 -2.8973511578E-03
  1.3518890503E-02  0.0000000000E+00  0.0000000000E+00
 -2.8973511578E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -9.5124029112E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7525378094E-02  2.8973511578E-03
  0.0000000000E+00  2.8973511578E-03 -7.4707554556E-03

 Crystal Tensor_qq(ke,je,3,2)
 -2.8973511578E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8973511578E-03  7.4473959150E-03
  0.0000000000E+00  7.4473959150E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.8973511578E-03  7.4473959150E-03
 -2.8973511578E-03  0.0000000000E+00  0.0000000000E+00
  7.4473959150E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.8973511578E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8973511578E-03  7.4473959150E-03
  0.0000000000E+00  7.4473959150E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -7.4707554556E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.4707554556E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4487992564E-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  3.98894E-02  3.98894E-02  3.38179E-02  3.50920E-02  2.77836E-02  3.50920E-02  3.49746E-02
   dip-dip  2.63705E-02  2.63705E-02  2.63705E-02  2.33533E-02  2.03362E-02  2.33533E-02  2.43590E-02
   qua-qua  1.35189E-02  1.35189E-02  7.44740E-03  1.17387E-02  7.44740E-03  1.17387E-02  1.06156E-02

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  6.42732E-02  8.98108E-17  2.06044E-01  1.72624E-16
   dip-dip  0.00000E+00  1.19196E-17  0.00000E+00  9.77995E-18
   qua-qua  6.42732E-02  7.78911E-17  2.06044E-01  1.62844E-16

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

 Energ =  -8.40000 eV

 Vmoy = -20.03182 eV, Vmftabs = -23.37359 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.999E-06  7.873E-08    6.632E-03 -8.702E-05    1.242E-03 -1.632E-05
  1  0    1  1      2.145E-03 -5.153E-06   -5.486E-02  1.325E-04   -6.214E-03  1.515E-05
  2  0    1  1      3.444E-04 -3.565E-06   -1.440E-02  1.492E-04   -2.754E-03  2.858E-05
  3  0    1  1      9.897E-06 -1.908E-07   -5.465E-04  1.054E-05   -1.344E-04  2.594E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.3252607594E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3252607594E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3129117098E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  2.0782438200E-03  0.0000000000E+00 -7.2196381103E-04
  0.0000000000E+00 -1.0411861751E-03 -2.9333833717E-04
 -7.2196381103E-04 -2.9333833717E-04 -9.7174580564E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.5597149975E-03 -2.9333833717E-04
  1.5597149975E-03  0.0000000000E+00  7.2196381103E-04
 -2.9333833717E-04  7.2196381103E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -7.2196381103E-04 -2.9333833717E-04  9.0128212010E-04
 -2.9333833717E-04  7.2196381103E-04  0.0000000000E+00
  9.0128212010E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.5597149975E-03 -2.9333833717E-04
  1.5597149975E-03  0.0000000000E+00  7.2196381103E-04
 -2.9333833717E-04  7.2196381103E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.0411861751E-03  0.0000000000E+00  7.2196381103E-04
  0.0000000000E+00  2.0782438200E-03  2.9333833717E-04
  7.2196381103E-04  2.9333833717E-04 -9.7174580564E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -2.9333833717E-04  7.2196381103E-04  0.0000000000E+00
  7.2196381103E-04  2.9333833717E-04  9.0128212010E-04
  0.0000000000E+00  9.0128212010E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -7.2196381103E-04 -2.9333833717E-04  9.0128212010E-04
 -2.9333833717E-04  7.2196381103E-04  0.0000000000E+00
  9.0128212010E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -2.9333833717E-04  7.2196381103E-04  0.0000000000E+00
  7.2196381103E-04  2.9333833717E-04  9.0128212010E-04
  0.0000000000E+00  9.0128212010E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -9.7174580564E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.7174580564E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9143059491E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.5951564556E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5951564556E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9877470259E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.2469462920E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.2471170505E-03 -1.7600300230E-03
  0.0000000000E+00 -1.7600300230E-03 -5.8304748338E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  9.3582899852E-03 -1.7600300230E-03
  9.3582899852E-03  0.0000000000E+00  0.0000000000E+00
 -1.7600300230E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.7600300230E-03  5.4076927206E-03
 -1.7600300230E-03  0.0000000000E+00  0.0000000000E+00
  5.4076927206E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  9.3582899852E-03 -1.7600300230E-03
  9.3582899852E-03  0.0000000000E+00  0.0000000000E+00
 -1.7600300230E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.2471170505E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2469462920E-02  1.7600300230E-03
  0.0000000000E+00  1.7600300230E-03 -5.8304748338E-03

 Crystal Tensor_qq(ke,je,3,2)
 -1.7600300230E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7600300230E-03  5.4076927206E-03
  0.0000000000E+00  5.4076927206E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.7600300230E-03  5.4076927206E-03
 -1.7600300230E-03  0.0000000000E+00  0.0000000000E+00
  5.4076927206E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.7600300230E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7600300230E-03  5.4076927206E-03
  0.0000000000E+00  5.4076927206E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.8304748338E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.8304748338E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1485835694E-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  3.53099E-02  3.53099E-02  3.13593E-02  3.18186E-02  2.52852E-02  3.18186E-02  3.15838E-02
   dip-dip  2.59516E-02  2.59516E-02  2.59516E-02  2.29145E-02  1.98775E-02  2.29145E-02  2.39269E-02
   qua-qua  9.35829E-03  9.35829E-03  5.40769E-03  8.90406E-03  5.40769E-03  8.90406E-03  7.65692E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  3.86491E-02  5.93720E-17  1.23900E-01  1.07962E-16
   dip-dip  0.00000E+00  1.19984E-17  0.00000E+00  9.84460E-18
   qua-qua  3.86491E-02  4.73736E-17  1.23900E-01  9.81178E-17

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

 Energ =  -8.30000 eV

 Vmoy = -20.03267 eV, Vmftabs = -23.37340 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.915E-06  7.651E-08    6.540E-03 -8.456E-05    1.225E-03 -1.586E-05
  1  0    1  1      2.143E-03 -4.753E-06   -5.482E-02  1.223E-04   -6.209E-03  1.399E-05
  2  0    1  1      3.408E-04 -3.457E-06   -1.425E-02  1.447E-04   -2.726E-03  2.771E-05
  3  0    1  1      9.710E-06 -1.844E-07   -5.361E-04  1.018E-05   -1.318E-04  2.506E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.2770535010E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2770535010E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2443139523E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5748467074E-03  0.0000000000E+00 -4.3104264489E-04
  0.0000000000E+00 -7.3943181880E-04 -1.7757479181E-04
 -4.3104264489E-04 -1.7757479181E-04 -7.8779797346E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.1571392631E-03 -1.7757479181E-04
  1.1571392631E-03  0.0000000000E+00  4.3104264489E-04
 -1.7757479181E-04  4.3104264489E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -4.3104264489E-04 -1.7757479181E-04  7.0770356690E-04
 -1.7757479181E-04  4.3104264489E-04  0.0000000000E+00
  7.0770356690E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.1571392631E-03 -1.7757479181E-04
  1.1571392631E-03  0.0000000000E+00  4.3104264489E-04
 -1.7757479181E-04  4.3104264489E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.3943181880E-04  0.0000000000E+00  4.3104264489E-04
  0.0000000000E+00  1.5748467074E-03  1.7757479181E-04
  4.3104264489E-04  1.7757479181E-04 -7.8779797346E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.7757479181E-04  4.3104264489E-04  0.0000000000E+00
  4.3104264489E-04  1.7757479181E-04  7.0770356690E-04
  0.0000000000E+00  7.0770356690E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -4.3104264489E-04 -1.7757479181E-04  7.0770356690E-04
 -1.7757479181E-04  4.3104264489E-04  0.0000000000E+00
  7.0770356690E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.7757479181E-04  4.3104264489E-04  0.0000000000E+00
  4.3104264489E-04  1.7757479181E-04  7.0770356690E-04
  0.0000000000E+00  7.0770356690E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -7.8779797346E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.8779797346E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5794799963E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.5662321006E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5662321006E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9465883714E-02

 Crystal Tensor_qq(ke,je,1,1)
  9.4490802446E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4365909128E-03 -1.0654487509E-03
  0.0000000000E+00 -1.0654487509E-03 -4.7267878408E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.9428355787E-03 -1.0654487509E-03
  6.9428355787E-03  0.0000000000E+00  0.0000000000E+00
 -1.0654487509E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.0654487509E-03  4.2462214014E-03
 -1.0654487509E-03  0.0000000000E+00  0.0000000000E+00
  4.2462214014E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.9428355787E-03 -1.0654487509E-03
  6.9428355787E-03  0.0000000000E+00  0.0000000000E+00
 -1.0654487509E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.4365909128E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.4490802446E-03  1.0654487509E-03
  0.0000000000E+00  1.0654487509E-03 -4.7267878408E-03

 Crystal Tensor_qq(ke,je,3,2)
 -1.0654487509E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0654487509E-03  4.2462214014E-03
  0.0000000000E+00  4.2462214014E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.0654487509E-03  4.2462214014E-03
 -1.0654487509E-03  0.0000000000E+00  0.0000000000E+00
  4.2462214014E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.0654487509E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0654487509E-03  4.2462214014E-03
  0.0000000000E+00  4.2462214014E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.7267878408E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7267878408E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.4768799780E-03

 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  3.26052E-02  3.26052E-02  2.99085E-02  2.96590E-02  2.37121E-02  2.96590E-02  2.95016E-02
   dip-dip  2.56623E-02  2.56623E-02  2.56623E-02  2.25641E-02  1.94659E-02  2.25641E-02  2.35968E-02
   qua-qua  6.94284E-03  6.94284E-03  4.24622E-03  7.09488E-03  4.24622E-03  7.09488E-03  5.90474E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.30754E-02  4.10755E-17  7.39742E-02  6.88164E-17
   dip-dip  0.00000E+00  1.22403E-17  0.00000E+00  1.00430E-17
   qua-qua  2.30754E-02  2.88352E-17  7.39742E-02  5.87734E-17

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

 Energ =  -8.20000 eV

 Vmoy = -20.03351 eV, Vmftabs = -23.37322 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.835E-06  7.437E-08    6.451E-03 -8.220E-05    1.208E-03 -1.541E-05
  1  0    1  1      2.142E-03 -4.360E-06   -5.479E-02  1.122E-04   -6.206E-03  1.285E-05
  2  0    1  1      3.373E-04 -3.353E-06   -1.410E-02  1.403E-04   -2.698E-03  2.688E-05
  3  0    1  1      9.529E-06 -1.782E-07   -5.261E-04  9.845E-06   -1.294E-04  2.422E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.2541537090E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2541537090E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1839323571E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2680763403E-03  0.0000000000E+00 -2.4345187847E-04
  0.0000000000E+00 -5.6956129330E-04 -1.0260631917E-04
 -2.4345187847E-04 -1.0260631917E-04 -6.6420750812E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  9.1881881680E-04 -1.0260631917E-04
  9.1881881680E-04  0.0000000000E+00  2.4345187847E-04
 -1.0260631917E-04  2.4345187847E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -2.4345187847E-04 -1.0260631917E-04  5.9683537725E-04
 -1.0260631917E-04  2.4345187847E-04  0.0000000000E+00
  5.9683537725E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  9.1881881680E-04 -1.0260631917E-04
  9.1881881680E-04  0.0000000000E+00  2.4345187847E-04
 -1.0260631917E-04  2.4345187847E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -5.6956129330E-04  0.0000000000E+00  2.4345187847E-04
  0.0000000000E+00  1.2680763403E-03  1.0260631917E-04
  2.4345187847E-04  1.0260631917E-04 -6.6420750812E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.0260631917E-04  2.4345187847E-04  0.0000000000E+00
  2.4345187847E-04  1.0260631917E-04  5.9683537725E-04
  0.0000000000E+00  5.9683537725E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -2.4345187847E-04 -1.0260631917E-04  5.9683537725E-04
 -1.0260631917E-04  2.4345187847E-04  0.0000000000E+00
  5.9683537725E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.0260631917E-04  2.4345187847E-04  0.0000000000E+00
  2.4345187847E-04  1.0260631917E-04  5.9683537725E-04
  0.0000000000E+00  5.9683537725E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.6420750812E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.6420750812E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3575432675E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.5524922254E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5524922254E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9103594143E-02

 Crystal Tensor_qq(ke,je,1,1)
  7.6084580418E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4173677598E-03 -6.1563791502E-04
  0.0000000000E+00 -6.1563791502E-04 -3.9852450487E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.5129129008E-03 -6.1563791502E-04
  5.5129129008E-03  0.0000000000E+00  0.0000000000E+00
 -6.1563791502E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -6.1563791502E-04  3.5810122635E-03
 -6.1563791502E-04  0.0000000000E+00  0.0000000000E+00
  3.5810122635E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.5129129008E-03 -6.1563791502E-04
  5.5129129008E-03  0.0000000000E+00  0.0000000000E+00
 -6.1563791502E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.4173677598E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.6084580418E-03  6.1563791502E-04
  0.0000000000E+00  6.1563791502E-04 -3.9852450487E-03

 Crystal Tensor_qq(ke,je,3,2)
 -6.1563791502E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1563791502E-04  3.5810122635E-03
  0.0000000000E+00  3.5810122635E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -6.1563791502E-04  3.5810122635E-03
 -6.1563791502E-04  0.0000000000E+00  0.0000000000E+00
  3.5810122635E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -6.1563791502E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1563791502E-04  3.5810122635E-03
  0.0000000000E+00  3.5810122635E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.9852450487E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.9852450487E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.1452596049E-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  3.10378E-02  3.10378E-02  2.91059E-02  2.82453E-02  2.26846E-02  2.82453E-02  2.82361E-02
   dip-dip  2.55249E-02  2.55249E-02  2.55249E-02  2.23143E-02  1.91036E-02  2.23143E-02  2.33845E-02
   qua-qua  5.51291E-03  5.51291E-03  3.58101E-03  5.93105E-03  3.58101E-03  5.93105E-03  4.85166E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.30331E-02  2.96003E-17  4.17810E-02  4.38161E-17
   dip-dip  0.00000E+00  1.26847E-17  0.00000E+00  1.04076E-17
   qua-qua  1.30331E-02  1.69156E-17  4.17810E-02  3.34084E-17

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

 Energ =  -8.10000 eV

 Vmoy = -20.03431 eV, Vmftabs = -23.37304 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.756E-06  7.232E-08    6.364E-03 -7.993E-05    1.192E-03 -1.499E-05
  1  0    1  1      2.141E-03 -3.973E-06   -5.477E-02  1.023E-04   -6.204E-03  1.173E-05
  2  0    1  1      3.339E-04 -3.253E-06   -1.396E-02  1.362E-04   -2.671E-03  2.608E-05
  3  0    1  1      9.354E-06 -1.724E-07   -5.164E-04  9.521E-06   -1.270E-04  2.343E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.2617695710E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2617695710E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1325606511E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0796448315E-03  0.0000000000E+00 -1.1322429394E-04
  0.0000000000E+00 -4.7334729228E-04 -5.0358887801E-05
 -1.1322429394E-04 -5.0358887801E-05 -5.8282617100E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.7649606191E-04 -5.0358887801E-05
  7.7649606191E-04  0.0000000000E+00  1.1322429394E-04
 -5.0358887801E-05  1.1322429394E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.1322429394E-04 -5.0358887801E-05  5.3432108565E-04
 -5.0358887801E-05  1.1322429394E-04  0.0000000000E+00
  5.3432108565E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.7649606191E-04 -5.0358887801E-05
  7.7649606191E-04  0.0000000000E+00  1.1322429394E-04
 -5.0358887801E-05  1.1322429394E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.7334729228E-04  0.0000000000E+00  1.1322429394E-04
  0.0000000000E+00  1.0796448315E-03  5.0358887801E-05
  1.1322429394E-04  5.0358887801E-05 -5.8282617100E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -5.0358887801E-05  1.1322429394E-04  0.0000000000E+00
  1.1322429394E-04  5.0358887801E-05  5.3432108565E-04
  0.0000000000E+00  5.3432108565E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.1322429394E-04 -5.0358887801E-05  5.3432108565E-04
 -5.0358887801E-05  1.1322429394E-04  0.0000000000E+00
  5.3432108565E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -5.0358887801E-05  1.1322429394E-04  0.0000000000E+00
  1.1322429394E-04  5.0358887801E-05  5.3432108565E-04
  0.0000000000E+00  5.3432108565E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.8282617100E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.8282617100E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2157888994E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.5570617426E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5570617426E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8795363906E-02

 Crystal Tensor_qq(ke,je,1,1)
  6.4778689892E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8400837537E-03 -3.0215332681E-04
  0.0000000000E+00 -3.0215332681E-04 -3.4969570260E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.6589763714E-03 -3.0215332681E-04
  4.6589763714E-03  0.0000000000E+00  0.0000000000E+00
 -3.0215332681E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.0215332681E-04  3.2059265139E-03
 -3.0215332681E-04  0.0000000000E+00  0.0000000000E+00
  3.2059265139E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.6589763714E-03 -3.0215332681E-04
  4.6589763714E-03  0.0000000000E+00  0.0000000000E+00
 -3.0215332681E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.8400837537E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.4778689892E-03  3.0215332681E-04
  0.0000000000E+00  3.0215332681E-04 -3.4969570260E-03

 Crystal Tensor_qq(ke,je,3,2)
 -3.0215332681E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0215332681E-04  3.2059265139E-03
  0.0000000000E+00  3.2059265139E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.0215332681E-04  3.2059265139E-03
 -3.0215332681E-04  0.0000000000E+00  0.0000000000E+00
  3.2059265139E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.0215332681E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0215332681E-04  3.2059265139E-03
  0.0000000000E+00  3.2059265139E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.4969570260E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4969570260E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.2947333962E-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  3.02296E-02  3.02296E-02  2.87765E-02  2.73746E-02  2.20013E-02  2.73746E-02  2.75320E-02
   dip-dip  2.55706E-02  2.55706E-02  2.55706E-02  2.21830E-02  1.87954E-02  2.21830E-02  2.33122E-02
   qua-qua  4.65898E-03  4.65898E-03  3.20593E-03  5.19163E-03  3.20593E-03  5.19163E-03  4.21980E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  6.06150E-03  2.20767E-17  1.94317E-02  2.67935E-17
   dip-dip  0.00000E+00  1.33840E-17  0.00000E+00  1.09814E-17
   qua-qua  6.06150E-03  8.69270E-18  1.94317E-02  1.58120E-17

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

 Energ =  -8.00000 eV

 Vmoy = -20.03510 eV, Vmftabs = -23.37286 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.679E-06  7.035E-08    6.279E-03 -7.775E-05    1.176E-03 -1.458E-05
  1  0    1  1      2.141E-03 -3.591E-06   -5.476E-02  9.256E-05   -6.203E-03  1.062E-05
  2  0    1  1      3.307E-04 -3.157E-06   -1.383E-02  1.322E-04   -2.645E-03  2.531E-05
  3  0    1  1      9.185E-06 -1.668E-07   -5.071E-04  9.212E-06   -1.247E-04  2.267E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.3063840269E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3063840269E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0916241903E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  9.6769156198E-04  0.0000000000E+00 -1.5717327405E-05
  0.0000000000E+00 -4.2083532571E-04 -1.1103287954E-05
 -1.5717327405E-05 -1.1103287954E-05 -5.3304620625E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.9426344384E-04 -1.1103287954E-05
  6.9426344384E-04  0.0000000000E+00  1.5717327405E-05
 -1.1103287954E-05  1.5717327405E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.5717327405E-05 -1.1103287954E-05  5.0194786489E-04
 -1.1103287954E-05  1.5717327405E-05  0.0000000000E+00
  5.0194786489E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.9426344384E-04 -1.1103287954E-05
  6.9426344384E-04  0.0000000000E+00  1.5717327405E-05
 -1.1103287954E-05  1.5717327405E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.2083532571E-04  0.0000000000E+00  1.5717327405E-05
  0.0000000000E+00  9.6769156198E-04  1.1103287954E-05
  1.5717327405E-05  1.1103287954E-05 -5.3304620625E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.1103287954E-05  1.5717327405E-05  0.0000000000E+00
  1.5717327405E-05  1.1103287954E-05  5.0194786489E-04
  0.0000000000E+00  5.0194786489E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.5717327405E-05 -1.1103287954E-05  5.0194786489E-04
 -1.1103287954E-05  1.5717327405E-05  0.0000000000E+00
  5.0194786489E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.1103287954E-05  1.5717327405E-05  0.0000000000E+00
  1.5717327405E-05  1.1103287954E-05  5.0194786489E-04
  0.0000000000E+00  5.0194786489E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.3304620625E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.3304620625E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1354988051E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.5838304162E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5838304162E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8549745142E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.8061493719E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5250119543E-03 -6.6619727723E-05
  0.0000000000E+00 -6.6619727723E-05 -3.1982772375E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.1655806631E-03 -6.6619727723E-05
  4.1655806631E-03  0.0000000000E+00  0.0000000000E+00
 -6.6619727723E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -6.6619727723E-05  3.0116871893E-03
 -6.6619727723E-05  0.0000000000E+00  0.0000000000E+00
  3.0116871893E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.1655806631E-03 -6.6619727723E-05
  4.1655806631E-03  0.0000000000E+00  0.0000000000E+00
 -6.6619727723E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.5250119543E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8061493719E-03  6.6619727723E-05
  0.0000000000E+00  6.6619727723E-05 -3.1982772375E-03

 Crystal Tensor_qq(ke,je,3,2)
 -6.6619727723E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6619727723E-05  3.0116871893E-03
  0.0000000000E+00  3.0116871893E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -6.6619727723E-05  3.0116871893E-03
 -6.6619727723E-05  0.0000000000E+00  0.0000000000E+00
  3.0116871893E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -6.6619727723E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6619727723E-05  3.0116871893E-03
  0.0000000000E+00  3.0116871893E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.1982772375E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1982772375E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.8129928306E-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  3.00039E-02  3.00039E-02  2.88500E-02  2.69479E-02  2.15614E-02  2.69479E-02  2.72697E-02
   dip-dip  2.58383E-02  2.58383E-02  2.58383E-02  2.21940E-02  1.85497E-02  2.21940E-02  2.34088E-02
   qua-qua  4.16558E-03  4.16558E-03  3.01169E-03  4.75392E-03  3.01169E-03  4.75392E-03  3.86091E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  8.41443E-04  1.69996E-17  2.69746E-03  1.44680E-17
   dip-dip  0.00000E+00  1.43982E-17  0.00000E+00  1.18136E-17
   qua-qua  8.41443E-04  2.60142E-18  2.69746E-03  2.65443E-18

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

 Energ =  -7.90000 eV

 Vmoy = -20.03587 eV, Vmftabs = -23.37267 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.605E-06  6.846E-08    6.197E-03 -7.566E-05    1.161E-03 -1.419E-05
  1  0    1  1      2.141E-03 -3.214E-06   -5.477E-02  8.292E-05   -6.203E-03  9.528E-06
  2  0    1  1      3.275E-04 -3.065E-06   -1.369E-02  1.283E-04   -2.619E-03  2.458E-05
  3  0    1  1      9.021E-06 -1.614E-07   -4.980E-04  8.917E-06   -1.225E-04  2.194E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.3934058735E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3934058735E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0633748338E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  9.0948278066E-04  0.0000000000E+00  6.2497689918E-05
  0.0000000000E+00 -3.9569424991E-04  2.0475744497E-05
  6.2497689918E-05  2.0475744497E-05 -5.0945898376E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.5258851529E-04  2.0475744497E-05
  6.5258851529E-04  0.0000000000E+00 -6.2497689918E-05
  2.0475744497E-05 -6.2497689918E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  6.2497689918E-05  2.0475744497E-05  4.8963441755E-04
  2.0475744497E-05 -6.2497689918E-05  0.0000000000E+00
  4.8963441755E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.5258851529E-04  2.0475744497E-05
  6.5258851529E-04  0.0000000000E+00 -6.2497689918E-05
  2.0475744497E-05 -6.2497689918E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.9569424991E-04  0.0000000000E+00 -6.2497689918E-05
  0.0000000000E+00  9.0948278066E-04 -2.0475744497E-05
 -6.2497689918E-05 -2.0475744497E-05 -5.0945898376E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  2.0475744497E-05 -6.2497689918E-05  0.0000000000E+00
 -6.2497689918E-05 -2.0475744497E-05  4.8963441755E-04
  0.0000000000E+00  4.8963441755E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  6.2497689918E-05  2.0475744497E-05  4.8963441755E-04
  2.0475744497E-05 -6.2497689918E-05  0.0000000000E+00
  4.8963441755E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.0475744497E-05 -6.2497689918E-05  0.0000000000E+00
 -6.2497689918E-05 -2.0475744497E-05  4.8963441755E-04
  0.0000000000E+00  4.8963441755E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.0945898376E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.0945898376E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1078362640E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.6360435241E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6360435241E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8380249003E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.4568966840E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3741654995E-03  1.2285446698E-04
  0.0000000000E+00  1.2285446698E-04 -3.0567539026E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.9155310917E-03  1.2285446698E-04
  3.9155310917E-03  0.0000000000E+00  0.0000000000E+00
  1.2285446698E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.2285446698E-04  2.9378065053E-03
  1.2285446698E-04  0.0000000000E+00  0.0000000000E+00
  2.9378065053E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.9155310917E-03  1.2285446698E-04
  3.9155310917E-03  0.0000000000E+00  0.0000000000E+00
  1.2285446698E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.3741654995E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4568966840E-03 -1.2285446698E-04
  0.0000000000E+00 -1.2285446698E-04 -3.0567539026E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.2285446698E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2285446698E-04  2.9378065053E-03
  0.0000000000E+00  2.9378065053E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.2285446698E-04  2.9378065053E-03
  1.2285446698E-04  0.0000000000E+00  0.0000000000E+00
  2.9378065053E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.2285446698E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2285446698E-04  2.9378065053E-03
  0.0000000000E+00  2.9378065053E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.0567539026E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0567539026E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.6470175838E-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  3.02760E-02  3.02760E-02  2.92982E-02  2.69247E-02  2.13181E-02  2.69247E-02  2.73952E-02
   dip-dip  2.63604E-02  2.63604E-02  2.63604E-02  2.23703E-02  1.83802E-02  2.23703E-02  2.37004E-02
   qua-qua  3.91553E-03  3.91553E-03  2.93781E-03  4.55436E-03  2.93781E-03  4.55436E-03  3.69479E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.34592E-03  1.35543E-17 -1.07262E-02  5.05602E-18
   dip-dip  0.00000E+00  1.57646E-17  0.00000E+00  1.29347E-17
   qua-qua -3.34592E-03 -2.21033E-18 -1.07262E-02 -7.87872E-18

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

 Energ =  -7.80000 eV

 Vmoy = -20.03663 eV, Vmftabs = -23.37249 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.532E-06  6.664E-08    6.117E-03 -7.365E-05    1.146E-03 -1.381E-05
  1  0    1  1      2.142E-03 -2.841E-06   -5.478E-02  7.337E-05   -6.205E-03  8.447E-06
  2  0    1  1      3.244E-04 -2.977E-06   -1.356E-02  1.246E-04   -2.595E-03  2.387E-05
  3  0    1  1      8.863E-06 -1.563E-07   -4.893E-04  8.634E-06   -1.203E-04  2.125E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.5181258831E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5181258831E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0509181200E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  8.9168173575E-04  0.0000000000E+00  1.2827683102E-04
  0.0000000000E+00 -3.8693620848E-04  4.7082151721E-05
  1.2827683102E-04  4.7082151721E-05 -5.1061357635E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.3930897212E-04  4.7082151721E-05
  6.3930897212E-04  0.0000000000E+00 -1.2827683102E-04
  4.7082151721E-05 -1.2827683102E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.2827683102E-04  4.7082151721E-05  4.9118785488E-04
  4.7082151721E-05 -1.2827683102E-04  0.0000000000E+00
  4.9118785488E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.3930897212E-04  4.7082151721E-05
  6.3930897212E-04  0.0000000000E+00 -1.2827683102E-04
  4.7082151721E-05 -1.2827683102E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.8693620848E-04  0.0000000000E+00 -1.2827683102E-04
  0.0000000000E+00  8.9168173575E-04 -4.7082151721E-05
 -1.2827683102E-04 -4.7082151721E-05 -5.1061357635E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  4.7082151721E-05 -1.2827683102E-04  0.0000000000E+00
 -1.2827683102E-04 -4.7082151721E-05  4.9118785488E-04
  0.0000000000E+00  4.9118785488E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.2827683102E-04  4.7082151721E-05  4.9118785488E-04
  4.7082151721E-05 -1.2827683102E-04  0.0000000000E+00
  4.9118785488E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.7082151721E-05 -1.2827683102E-04  0.0000000000E+00
 -1.2827683102E-04 -4.7082151721E-05  4.9118785488E-04
  0.0000000000E+00  4.9118785488E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.1061357635E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1061357635E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1317568962E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.7108755299E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7108755299E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8305508720E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.3500904145E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3216172509E-03  2.8249291033E-04
  0.0000000000E+00  2.8249291033E-04 -3.0636814581E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.8358538327E-03  2.8249291033E-04
  3.8358538327E-03  0.0000000000E+00  0.0000000000E+00
  2.8249291033E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.8249291033E-04  2.9471271293E-03
  2.8249291033E-04  0.0000000000E+00  0.0000000000E+00
  2.9471271293E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.8358538327E-03  2.8249291033E-04
  3.8358538327E-03  0.0000000000E+00  0.0000000000E+00
  2.8249291033E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.3216172509E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3500904145E-03 -2.8249291033E-04
  0.0000000000E+00 -2.8249291033E-04 -3.0636814581E-03

 Crystal Tensor_qq(ke,je,3,2)
  2.8249291033E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8249291033E-04  2.9471271293E-03
  0.0000000000E+00  2.9471271293E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.8249291033E-04  2.9471271293E-03
  2.8249291033E-04  0.0000000000E+00  0.0000000000E+00
  2.9471271293E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.8249291033E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8249291033E-04  2.9471271293E-03
  0.0000000000E+00  2.9471271293E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.0636814581E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0636814581E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7905413769E-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  3.09446E-02  3.09446E-02  3.00559E-02  2.72741E-02  2.12526E-02  2.72741E-02  2.78497E-02
   dip-dip  2.71088E-02  2.71088E-02  2.71088E-02  2.27071E-02  1.83055E-02  2.27071E-02  2.41743E-02
   qua-qua  3.83585E-03  3.83585E-03  2.94713E-03  4.56700E-03  2.94713E-03  4.56700E-03  3.67534E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.86761E-03  1.12058E-17 -2.20159E-02 -2.44653E-18
   dip-dip  0.00000E+00  1.73908E-17  0.00000E+00  1.42690E-17
   qua-qua -6.86761E-03 -6.18496E-18 -2.20159E-02 -1.67155E-17

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

 Energ =  -7.70000 eV

 Vmoy = -20.03738 eV, Vmftabs = -23.37231 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.462E-06  6.489E-08    6.039E-03 -7.171E-05    1.131E-03 -1.345E-05
  1  0    1  1      2.143E-03 -2.472E-06   -5.481E-02  6.393E-05   -6.208E-03  7.377E-06
  2  0    1  1      3.214E-04 -2.891E-06   -1.344E-02  1.210E-04   -2.571E-03  2.318E-05
  3  0    1  1      8.709E-06 -1.514E-07   -4.808E-04  8.364E-06   -1.182E-04  2.058E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.6411853340E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6411853340E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0574163548E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  9.0318609923E-04  0.0000000000E+00  1.8330660176E-04
  0.0000000000E+00 -3.8236176183E-04  6.9325928517E-05
  1.8330660176E-04  6.9325928517E-05 -5.3853489452E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.4277393053E-04  6.9325928517E-05
  6.4277393053E-04  0.0000000000E+00 -1.8330660176E-04
  6.9325928517E-05 -1.8330660176E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.8330660176E-04  6.9325928517E-05  5.0196892699E-04
  6.9325928517E-05 -1.8330660176E-04  0.0000000000E+00
  5.0196892699E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.4277393053E-04  6.9325928517E-05
  6.4277393053E-04  0.0000000000E+00 -1.8330660176E-04
  6.9325928517E-05 -1.8330660176E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.8236176183E-04  0.0000000000E+00 -1.8330660176E-04
  0.0000000000E+00  9.0318609923E-04 -6.9325928517E-05
 -1.8330660176E-04 -6.9325928517E-05 -5.3853489452E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  6.9325928517E-05 -1.8330660176E-04  0.0000000000E+00
 -1.8330660176E-04 -6.9325928517E-05  5.0196892699E-04
  0.0000000000E+00  5.0196892699E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.8330660176E-04  6.9325928517E-05  5.0196892699E-04
  6.9325928517E-05 -1.8330660176E-04  0.0000000000E+00
  5.0196892699E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  6.9325928517E-05 -1.8330660176E-04  0.0000000000E+00
 -1.8330660176E-04 -6.9325928517E-05  5.0196892699E-04
  0.0000000000E+00  5.0196892699E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.3853489452E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.3853489452E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2132756629E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.7847112004E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7847112004E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8344498129E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.4191165954E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2941705710E-03  4.1595557110E-04
  0.0000000000E+00  4.1595557110E-04 -3.2312093671E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.8566435832E-03  4.1595557110E-04
  3.8566435832E-03  0.0000000000E+00  0.0000000000E+00
  4.1595557110E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.1595557110E-04  3.0118135619E-03
  4.1595557110E-04  0.0000000000E+00  0.0000000000E+00
  3.0118135619E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.8566435832E-03  4.1595557110E-04
  3.8566435832E-03  0.0000000000E+00  0.0000000000E+00
  4.1595557110E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.2941705710E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4191165954E-03 -4.1595557110E-04
  0.0000000000E+00 -4.1595557110E-04 -3.2312093671E-03

 Crystal Tensor_qq(ke,je,3,2)
  4.1595557110E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.1595557110E-04  3.0118135619E-03
  0.0000000000E+00  3.0118135619E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.1595557110E-04  3.0118135619E-03
  4.1595557110E-04  0.0000000000E+00  0.0000000000E+00
  3.0118135619E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.1595557110E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.1595557110E-04  3.0118135619E-03
  0.0000000000E+00  3.0118135619E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.2312093671E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2312093671E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.2796539774E-03

 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  3.17038E-02  3.17038E-02  3.08589E-02  2.78861E-02  2.13563E-02  2.78861E-02  2.84473E-02
   dip-dip  2.78471E-02  2.78471E-02  2.78471E-02  2.30958E-02  1.83445E-02  2.30958E-02  2.46796E-02
   qua-qua  3.85664E-03  3.85664E-03  3.01181E-03  4.79030E-03  3.01181E-03  4.79030E-03  3.76769E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -9.81389E-03  9.30479E-18 -3.14610E-02 -8.69096E-18
   dip-dip  0.00000E+00  1.87726E-17  0.00000E+00  1.54028E-17
   qua-qua -9.81389E-03 -9.46785E-18 -3.14610E-02 -2.40937E-17

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

 Energ =  -7.60000 eV

 Vmoy = -20.03811 eV, Vmftabs = -23.37214 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.393E-06  6.320E-08    5.963E-03 -6.985E-05    1.117E-03 -1.310E-05
  1  0    1  1      2.144E-03 -2.106E-06   -5.484E-02  5.457E-05   -6.212E-03  6.317E-06
  2  0    1  1      3.185E-04 -2.809E-06   -1.332E-02  1.176E-04   -2.547E-03  2.253E-05
  3  0    1  1      8.561E-06 -1.467E-07   -4.726E-04  8.106E-06   -1.162E-04  1.995E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.6534053859E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6534053859E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0823154526E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  9.2765226601E-04  0.0000000000E+00  2.2428290878E-04
  0.0000000000E+00 -3.6152653990E-04  8.5745858063E-05
  2.2428290878E-04  8.5745858063E-05 -5.9826288237E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.4458940295E-04  8.5745858063E-05
  6.4458940295E-04  0.0000000000E+00 -2.2428290878E-04
  8.5745858063E-05 -2.2428290878E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.2428290878E-04  8.5745858063E-05  5.1813553225E-04
  8.5745858063E-05 -2.2428290878E-04  0.0000000000E+00
  5.1813553225E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.4458940295E-04  8.5745858063E-05
  6.4458940295E-04  0.0000000000E+00 -2.2428290878E-04
  8.5745858063E-05 -2.2428290878E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.6152653990E-04  0.0000000000E+00 -2.2428290878E-04
  0.0000000000E+00  9.2765226601E-04 -8.5745858063E-05
 -2.2428290878E-04 -8.5745858063E-05 -5.9826288237E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  8.5745858063E-05 -2.2428290878E-04  0.0000000000E+00
 -2.2428290878E-04 -8.5745858063E-05  5.1813553225E-04
  0.0000000000E+00  5.1813553225E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.2428290878E-04  8.5745858063E-05  5.1813553225E-04
  8.5745858063E-05 -2.2428290878E-04  0.0000000000E+00
  5.1813553225E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  8.5745858063E-05 -2.2428290878E-04  0.0000000000E+00
 -2.2428290878E-04 -8.5745858063E-05  5.1813553225E-04
  0.0000000000E+00  5.1813553225E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.9826288237E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.9826288237E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3644399833E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.7920432316E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7920432316E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8493892715E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.5659135961E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1691592394E-03  5.1447514838E-04
  0.0000000000E+00  5.1447514838E-04 -3.5895772942E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.8675364177E-03  5.1447514838E-04
  3.8675364177E-03  0.0000000000E+00  0.0000000000E+00
  5.1447514838E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  5.1447514838E-04  3.1088131935E-03
  5.1447514838E-04  0.0000000000E+00  0.0000000000E+00
  3.1088131935E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.8675364177E-03  5.1447514838E-04
  3.8675364177E-03  0.0000000000E+00  0.0000000000E+00
  5.1447514838E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.1691592394E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.5659135961E-03 -5.1447514838E-04
  0.0000000000E+00 -5.1447514838E-04 -3.5895772942E-03

 Crystal Tensor_qq(ke,je,3,2)
  5.1447514838E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1447514838E-04  3.1088131935E-03
  0.0000000000E+00  3.1088131935E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  5.1447514838E-04  3.1088131935E-03
  5.1447514838E-04  0.0000000000E+00  0.0000000000E+00
  3.1088131935E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  5.1447514838E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.1447514838E-04  3.1088131935E-03
  0.0000000000E+00  3.1088131935E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.5895772942E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5895772942E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.1866398996E-03

 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  3.17880E-02  3.17880E-02  3.10292E-02  2.84401E-02  2.16027E-02  2.84401E-02  2.87064E-02
   dip-dip  2.79204E-02  2.79204E-02  2.79204E-02  2.32072E-02  1.84939E-02  2.32072E-02  2.47783E-02
   qua-qua  3.86754E-03  3.86754E-03  3.10881E-03  5.23293E-03  3.10881E-03  5.23293E-03  3.92815E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.20078E-02  6.65993E-18 -3.84942E-02 -1.43174E-17
   dip-dip  0.00000E+00  1.86226E-17  0.00000E+00  1.52797E-17
   qua-qua -1.20078E-02 -1.19627E-17 -3.84942E-02 -2.95971E-17

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

 Energ =  -7.50000 eV

 Vmoy = -20.03883 eV, Vmftabs = -23.37196 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.326E-06  6.158E-08    5.889E-03 -6.805E-05    1.103E-03 -1.276E-05
  1  0    1  1      2.146E-03 -1.742E-06   -5.489E-02  4.528E-05   -6.217E-03  5.265E-06
  2  0    1  1      3.157E-04 -2.730E-06   -1.320E-02  1.143E-04   -2.525E-03  2.189E-05
  3  0    1  1      8.417E-06 -1.423E-07   -4.647E-04  7.858E-06   -1.143E-04  1.934E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.4163923260E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4163923260E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1120884256E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  9.4121342065E-04  0.0000000000E+00  2.4695359951E-04
  0.0000000000E+00 -2.9592837937E-04  9.4440366042E-05
  2.4695359951E-04  9.4440366042E-05 -6.9486719237E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.1857090001E-04  9.4440366042E-05
  6.1857090001E-04  0.0000000000E+00 -2.4695359951E-04
  9.4440366042E-05 -2.4695359951E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.4695359951E-04  9.4440366042E-05  5.3924584163E-04
  9.4440366042E-05 -2.4695359951E-04  0.0000000000E+00
  5.3924584163E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.1857090001E-04  9.4440366042E-05
  6.1857090001E-04  0.0000000000E+00 -2.4695359951E-04
  9.4440366042E-05 -2.4695359951E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.9592837937E-04  0.0000000000E+00 -2.4695359951E-04
  0.0000000000E+00  9.4121342065E-04 -9.4440366042E-05
 -2.4695359951E-04 -9.4440366042E-05 -6.9486719237E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  9.4440366042E-05 -2.4695359951E-04  0.0000000000E+00
 -2.4695359951E-04 -9.4440366042E-05  5.3924584163E-04
  0.0000000000E+00  5.3924584163E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.4695359951E-04  9.4440366042E-05  5.3924584163E-04
  9.4440366042E-05 -2.4695359951E-04  0.0000000000E+00
  5.3924584163E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  9.4440366042E-05 -2.4695359951E-04  0.0000000000E+00
 -2.4695359951E-04 -9.4440366042E-05  5.3924584163E-04
  0.0000000000E+00  5.3924584163E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.9486719237E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.9486719237E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5960858126E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.6498353956E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6498353956E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8672530554E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.6472805239E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.7755702762E-03  5.6664219625E-04
  0.0000000000E+00  5.6664219625E-04 -4.1692031542E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.7114254001E-03  5.6664219625E-04
  3.7114254001E-03  0.0000000000E+00  0.0000000000E+00
  5.6664219625E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  5.6664219625E-04  3.2354750498E-03
  5.6664219625E-04  0.0000000000E+00  0.0000000000E+00
  3.2354750498E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.7114254001E-03  5.6664219625E-04
  3.7114254001E-03  0.0000000000E+00  0.0000000000E+00
  5.6664219625E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.7755702762E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.6472805239E-03 -5.6664219625E-04
  0.0000000000E+00 -5.6664219625E-04 -4.1692031542E-03

 Crystal Tensor_qq(ke,je,3,2)
  5.6664219625E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6664219625E-04  3.2354750498E-03
  0.0000000000E+00  3.2354750498E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  5.6664219625E-04  3.2354750498E-03
  5.6664219625E-04  0.0000000000E+00  0.0000000000E+00
  3.2354750498E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  5.6664219625E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6664219625E-04  3.2354750498E-03
  0.0000000000E+00  3.2354750498E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.1692031542E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.1692031542E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.5765148755E-03

 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  3.02098E-02  3.02098E-02  2.97338E-02  2.84760E-02  2.19080E-02  2.84760E-02  2.79919E-02
   dip-dip  2.64984E-02  2.64984E-02  2.64984E-02  2.25854E-02  1.86725E-02  2.25854E-02  2.38897E-02
   qua-qua  3.71143E-03  3.71143E-03  3.23548E-03  5.89055E-03  3.23548E-03  5.89055E-03  4.10215E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.32218E-02  1.86414E-18 -4.23858E-02 -2.00196E-17
   dip-dip  0.00000E+00  1.54605E-17  0.00000E+00  1.26852E-17
   qua-qua -1.32218E-02 -1.35964E-17 -4.23858E-02 -3.27048E-17

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

 Energ =  -7.40000 eV

 Vmoy = -20.03953 eV, Vmftabs = -23.37178 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.261E-06  6.001E-08    5.816E-03 -6.633E-05    1.090E-03 -1.244E-05
  1  0    1  1      2.148E-03 -1.382E-06   -5.494E-02  3.606E-05   -6.223E-03  4.221E-06
  2  0    1  1      3.129E-04 -2.654E-06   -1.308E-02  1.111E-04   -2.503E-03  2.128E-05
  3  0    1  1      8.277E-06 -1.380E-07   -4.570E-04  7.621E-06   -1.124E-04  1.876E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.9537122252E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9537122252E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1127521237E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  9.3116111775E-04  0.0000000000E+00  2.5900766916E-04
  0.0000000000E+00 -1.7887493519E-04  9.8452126218E-05
  2.5900766916E-04  9.8452126218E-05 -8.2027296897E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.5501802647E-04  9.8452126218E-05
  5.5501802647E-04  0.0000000000E+00 -2.5900766916E-04
  9.8452126218E-05 -2.5900766916E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.5900766916E-04  9.8452126218E-05  5.7354890753E-04
  9.8452126218E-05 -2.5900766916E-04  0.0000000000E+00
  5.7354890753E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.5501802647E-04  9.8452126218E-05
  5.5501802647E-04  0.0000000000E+00 -2.5900766916E-04
  9.8452126218E-05 -2.5900766916E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.7887493519E-04  0.0000000000E+00 -2.5900766916E-04
  0.0000000000E+00  9.3116111775E-04 -9.8452126218E-05
 -2.5900766916E-04 -9.8452126218E-05 -8.2027296897E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  9.8452126218E-05 -2.5900766916E-04  0.0000000000E+00
 -2.5900766916E-04 -9.8452126218E-05  5.7354890753E-04
  0.0000000000E+00  5.7354890753E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.5900766916E-04  9.8452126218E-05  5.7354890753E-04
  9.8452126218E-05 -2.5900766916E-04  0.0000000000E+00
  5.7354890753E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  9.8452126218E-05 -2.5900766916E-04  0.0000000000E+00
 -2.5900766916E-04 -9.8452126218E-05  5.7354890753E-04
  0.0000000000E+00  5.7354890753E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -8.2027296897E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.2027296897E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8868329944E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.3722273351E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3722273351E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8676512742E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.5869667065E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0732496111E-03  5.9071275731E-04
  0.0000000000E+00  5.9071275731E-04 -4.9216378138E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.3301081588E-03  5.9071275731E-04
  3.3301081588E-03  0.0000000000E+00  0.0000000000E+00
  5.9071275731E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  5.9071275731E-04  3.4412934452E-03
  5.9071275731E-04  0.0000000000E+00  0.0000000000E+00
  3.4412934452E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.3301081588E-03  5.9071275731E-04
  3.3301081588E-03  0.0000000000E+00  0.0000000000E+00
  5.9071275731E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.0732496111E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.5869667065E-03 -5.9071275731E-04
  0.0000000000E+00 -5.9071275731E-04 -4.9216378138E-03

 Crystal Tensor_qq(ke,je,3,2)
  5.9071275731E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.9071275731E-04  3.4412934452E-03
  0.0000000000E+00  3.4412934452E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  5.9071275731E-04  3.4412934452E-03
  5.9071275731E-04  0.0000000000E+00  0.0000000000E+00
  3.4412934452E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  5.9071275731E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.9071275731E-04  3.4412934452E-03
  0.0000000000E+00  3.4412934452E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.9216378138E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9216378138E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1320997966E-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  2.70524E-02  2.70524E-02  2.71636E-02  2.78872E-02  2.21178E-02  2.78872E-02  2.63103E-02
   dip-dip  2.37223E-02  2.37223E-02  2.37223E-02  2.11994E-02  1.86765E-02  2.11994E-02  2.20404E-02
   qua-qua  3.33011E-03  3.33011E-03  3.44129E-03  6.68781E-03  3.44129E-03  6.68781E-03  4.26997E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.38673E-02 -4.98277E-18 -4.44553E-02 -2.63057E-17
   dip-dip  0.00000E+00  9.96841E-18  0.00000E+00  8.17899E-18
   qua-qua -1.38673E-02 -1.49512E-17 -4.44553E-02 -3.44847E-17

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

 Energ =  -7.30000 eV

 Vmoy = -20.04019 eV, Vmftabs = -23.37160 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.197E-06  5.851E-08    5.746E-03 -6.466E-05    1.076E-03 -1.213E-05
  1  0    1  1      2.151E-03 -1.023E-06   -5.501E-02  2.688E-05   -6.231E-03  3.181E-06
  2  0    1  1      3.103E-04 -2.581E-06   -1.297E-02  1.080E-04   -2.481E-03  2.070E-05
  3  0    1  1      8.142E-06 -1.339E-07   -4.495E-04  7.394E-06   -1.105E-04  1.820E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.4694125169E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4694125169E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0527355009E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  9.0708811420E-04  0.0000000000E+00  2.8274623682E-04
  0.0000000000E+00 -6.4298629082E-05  1.0701757843E-04
  2.8274623682E-04  1.0701757843E-04 -9.2174964904E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.8569337164E-04  1.0701757843E-04
  4.8569337164E-04  0.0000000000E+00 -2.8274623682E-04
  1.0701757843E-04 -2.8274623682E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.8274623682E-04  1.0701757843E-04  6.3391498436E-04
  1.0701757843E-04 -2.8274623682E-04  0.0000000000E+00
  6.3391498436E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.8569337164E-04  1.0701757843E-04
  4.8569337164E-04  0.0000000000E+00 -2.8274623682E-04
  1.0701757843E-04 -2.8274623682E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.4298629082E-05  0.0000000000E+00 -2.8274623682E-04
  0.0000000000E+00  9.0708811420E-04 -1.0701757843E-04
 -2.8274623682E-04 -1.0701757843E-04 -9.2174964904E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.0701757843E-04 -2.8274623682E-04  0.0000000000E+00
 -2.8274623682E-04 -1.0701757843E-04  6.3391498436E-04
  0.0000000000E+00  6.3391498436E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.8274623682E-04  1.0701757843E-04  6.3391498436E-04
  1.0701757843E-04 -2.8274623682E-04  0.0000000000E+00
  6.3391498436E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.0701757843E-04 -2.8274623682E-04  0.0000000000E+00
 -2.8274623682E-04 -1.0701757843E-04  6.3391498436E-04
  0.0000000000E+00  6.3391498436E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -9.2174964904E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.2174964904E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1114368039E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0816475102E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0816475102E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8316413005E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.4425286852E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8579177449E-04  6.4210547056E-04
  0.0000000000E+00  6.4210547056E-04 -5.5304978942E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.9141602299E-03  6.4210547056E-04
  2.9141602299E-03  0.0000000000E+00  0.0000000000E+00
  6.4210547056E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  6.4210547056E-04  3.8034899062E-03
  6.4210547056E-04  0.0000000000E+00  0.0000000000E+00
  3.8034899062E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.9141602299E-03  6.4210547056E-04
  2.9141602299E-03  0.0000000000E+00  0.0000000000E+00
  6.4210547056E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.8579177449E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4425286852E-03 -6.4210547056E-04
  0.0000000000E+00 -6.4210547056E-04 -5.5304978942E-03

 Crystal Tensor_qq(ke,je,3,2)
  6.4210547056E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.4210547056E-04  3.8034899062E-03
  0.0000000000E+00  3.8034899062E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  6.4210547056E-04  3.8034899062E-03
  6.4210547056E-04  0.0000000000E+00  0.0000000000E+00
  3.8034899062E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  6.4210547056E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.4210547056E-04  3.8034899062E-03
  0.0000000000E+00  3.8034899062E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.5304978942E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.5304978942E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2668620824E-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  2.37306E-02  2.37306E-02  2.46200E-02  2.68595E-02  2.21199E-02  2.68595E-02  2.44207E-02
   dip-dip  2.08165E-02  2.08165E-02  2.08165E-02  1.95664E-02  1.83164E-02  1.95664E-02  1.99831E-02
   qua-qua  2.91416E-03  2.91416E-03  3.80349E-03  7.29304E-03  3.80349E-03  7.29304E-03  4.43759E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.51385E-02 -1.22860E-17 -4.85303E-02 -3.38466E-17
   dip-dip  0.00000E+00  4.93919E-18  0.00000E+00  4.05256E-18
   qua-qua -1.51385E-02 -1.72252E-17 -4.85303E-02 -3.78991E-17

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

 Energ =  -7.20000 eV

 Vmoy = -20.04082 eV, Vmftabs = -23.37143 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.136E-06  5.705E-08    5.678E-03 -6.306E-05    1.064E-03 -1.183E-05
  1  0    1  1      2.154E-03 -6.660E-07   -5.509E-02  1.775E-05   -6.239E-03  2.148E-06
  2  0    1  1      3.077E-04 -2.510E-06   -1.286E-02  1.051E-04   -2.460E-03  2.013E-05
  3  0    1  1      8.011E-06 -1.299E-07   -4.423E-04  7.177E-06   -1.088E-04  1.766E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.0998578009E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0998578009E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9436619305E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  8.6362062361E-04  0.0000000000E+00  3.3324314362E-04
  0.0000000000E+00 -3.3174898867E-05  1.2648340354E-04
  3.3324314362E-04  1.2648340354E-04 -9.0057780578E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.4839776124E-04  1.2648340354E-04
  4.4839776124E-04  0.0000000000E+00 -3.3324314362E-04
  1.2648340354E-04 -3.3324314362E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  3.3324314362E-04  1.2648340354E-04  7.2596954338E-04
  1.2648340354E-04 -3.3324314362E-04  0.0000000000E+00
  7.2596954338E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.4839776124E-04  1.2648340354E-04
  4.4839776124E-04  0.0000000000E+00 -3.3324314362E-04
  1.2648340354E-04 -3.3324314362E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.3174898867E-05  0.0000000000E+00 -3.3324314362E-04
  0.0000000000E+00  8.6362062361E-04 -1.2648340354E-04
 -3.3324314362E-04 -1.2648340354E-04 -9.0057780578E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.2648340354E-04 -3.3324314362E-04  0.0000000000E+00
 -3.3324314362E-04 -1.2648340354E-04  7.2596954338E-04
  0.0000000000E+00  7.2596954338E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  3.3324314362E-04  1.2648340354E-04  7.2596954338E-04
  1.2648340354E-04 -3.3324314362E-04  0.0000000000E+00
  7.2596954338E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.2648340354E-04 -3.3324314362E-04  0.0000000000E+00
 -3.3324314362E-04 -1.2648340354E-04  7.2596954338E-04
  0.0000000000E+00  7.2596954338E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -9.0057780578E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.0057780578E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0445023938E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8599146806E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8599146806E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7661971583E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.1817237417E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9904939320E-04  7.5890042124E-04
  0.0000000000E+00  7.5890042124E-04 -5.4034668347E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.6903865674E-03  7.5890042124E-04
  2.6903865674E-03  0.0000000000E+00  0.0000000000E+00
  7.5890042124E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  7.5890042124E-04  4.3558172603E-03
  7.5890042124E-04  0.0000000000E+00  0.0000000000E+00
  4.3558172603E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.6903865674E-03  7.5890042124E-04
  2.6903865674E-03  0.0000000000E+00  0.0000000000E+00
  7.5890042124E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.9904939320E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1817237417E-03 -7.5890042124E-04
  0.0000000000E+00 -7.5890042124E-04 -5.4034668347E-03

 Crystal Tensor_qq(ke,je,3,2)
  7.5890042124E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.5890042124E-04  4.3558172603E-03
  0.0000000000E+00  4.3558172603E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  7.5890042124E-04  4.3558172603E-03
  7.5890042124E-04  0.0000000000E+00  0.0000000000E+00
  4.3558172603E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  7.5890042124E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.5890042124E-04  4.3558172603E-03
  0.0000000000E+00  4.3558172603E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.4034668347E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.4034668347E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2267014363E-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  2.12895E-02  2.12895E-02  2.29550E-02  2.51945E-02  2.20178E-02  2.51945E-02  2.28096E-02
   dip-dip  1.85991E-02  1.85991E-02  1.85991E-02  1.81306E-02  1.76620E-02  1.81306E-02  1.82868E-02
   qua-qua  2.69039E-03  2.69039E-03  4.35582E-03  7.06392E-03  4.35582E-03  7.06392E-03  4.52283E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.78424E-02 -1.92542E-17 -5.71983E-02 -4.34041E-17
   dip-dip  0.00000E+00  1.85153E-18  0.00000E+00  1.51916E-18
   qua-qua -1.78424E-02 -2.11057E-17 -5.71983E-02 -4.49233E-17

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

 Energ =  -7.10000 eV

 Vmoy = -20.04142 eV, Vmftabs = -23.37125 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.075E-06  5.565E-08    5.611E-03 -6.151E-05    1.051E-03 -1.154E-05
  1  0    1  1      2.158E-03 -3.101E-07   -5.518E-02  8.654E-06   -6.249E-03  1.117E-06
  2  0    1  1      3.051E-04 -2.441E-06   -1.276E-02  1.022E-04   -2.440E-03  1.958E-05
  3  0    1  1      7.884E-06 -1.261E-07   -4.352E-04  6.968E-06   -1.070E-04  1.715E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.8519023576E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8519023576E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8242984515E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  7.9972470903E-04  0.0000000000E+00  4.1103976272E-04
  0.0000000000E+00 -1.0582056103E-04  1.5712174190E-04
  4.1103976272E-04  1.5712174190E-04 -7.3726562404E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.5277263503E-04  1.5712174190E-04
  4.5277263503E-04  0.0000000000E+00 -4.1103976272E-04
  1.5712174190E-04 -4.1103976272E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  4.1103976272E-04  1.5712174190E-04  8.4956571805E-04
  1.5712174190E-04 -4.1103976272E-04  0.0000000000E+00
  8.4956571805E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.5277263503E-04  1.5712174190E-04
  4.5277263503E-04  0.0000000000E+00 -4.1103976272E-04
  1.5712174190E-04 -4.1103976272E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.0582056103E-04  0.0000000000E+00 -4.1103976272E-04
  0.0000000000E+00  7.9972470903E-04 -1.5712174190E-04
 -4.1103976272E-04 -1.5712174190E-04 -7.3726562404E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.5712174190E-04 -4.1103976272E-04  0.0000000000E+00
 -4.1103976272E-04 -1.5712174190E-04  8.4956571805E-04
  0.0000000000E+00  8.4956571805E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  4.1103976272E-04  1.5712174190E-04  8.4956571805E-04
  1.5712174190E-04 -4.1103976272E-04  0.0000000000E+00
  8.4956571805E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.5712174190E-04 -4.1103976272E-04  0.0000000000E+00
 -4.1103976272E-04 -1.5712174190E-04  8.4956571805E-04
  0.0000000000E+00  8.4956571805E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -7.3726562404E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3726562404E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6530392299E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.7111414146E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7111414146E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6945790709E-02

 Crystal Tensor_qq(ke,je,1,1)
  4.7983482542E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.3492336617E-04  9.4273045137E-04
  0.0000000000E+00  9.4273045137E-04 -4.4235937442E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.7166358102E-03  9.4273045137E-04
  2.7166358102E-03  0.0000000000E+00  0.0000000000E+00
  9.4273045137E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  9.4273045137E-04  5.0973943083E-03
  9.4273045137E-04  0.0000000000E+00  0.0000000000E+00
  5.0973943083E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.7166358102E-03  9.4273045137E-04
  2.7166358102E-03  0.0000000000E+00  0.0000000000E+00
  9.4273045137E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.3492336617E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7983482542E-03 -9.4273045137E-04
  0.0000000000E+00 -9.4273045137E-04 -4.4235937442E-03

 Crystal Tensor_qq(ke,je,3,2)
  9.4273045137E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.4273045137E-04  5.0973943083E-03
  0.0000000000E+00  5.0973943083E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  9.4273045137E-04  5.0973943083E-03
  9.4273045137E-04  0.0000000000E+00  0.0000000000E+00
  5.0973943083E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  9.4273045137E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.4273045137E-04  5.0973943083E-03
  0.0000000000E+00  5.0973943083E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.4235937442E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4235937442E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.9182353796E-03

 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  1.98280E-02  1.98280E-02  2.22088E-02  2.29195E-02  2.20432E-02  2.29195E-02  2.15716E-02
   dip-dip  1.71114E-02  1.71114E-02  1.71114E-02  1.70286E-02  1.69458E-02  1.70286E-02  1.70562E-02
   qua-qua  2.71664E-03  2.71664E-03  5.09739E-03  5.89094E-03  5.09739E-03  5.89094E-03  4.51542E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.20080E-02 -2.62325E-17 -7.05524E-02 -5.53452E-17
   dip-dip  0.00000E+00  3.27219E-19  0.00000E+00  2.68480E-19
   qua-qua -2.20080E-02 -2.65597E-17 -7.05524E-02 -5.56137E-17

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

 Energ =  -7.00000 eV

 Vmoy = -20.04198 eV, Vmftabs = -23.37108 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -5.016E-06  5.430E-08    5.546E-03 -6.001E-05    1.039E-03 -1.126E-05
  1  0    1  1      2.161E-03  4.502E-08   -5.527E-02 -4.265E-07   -6.260E-03  8.916E-08
  2  0    1  1      3.027E-04 -2.376E-06   -1.265E-02  9.944E-05   -2.421E-03  1.905E-05
  3  0    1  1      7.760E-06 -1.225E-07   -4.284E-04  6.768E-06   -1.054E-04  1.665E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.6890418924E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6890418924E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7191359468E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  7.5347175284E-04  0.0000000000E+00  5.1301618873E-04
  0.0000000000E+00 -2.3187250834E-04  1.9762403094E-04
  5.1301618873E-04  1.9762403094E-04 -5.3710011532E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.9267213059E-04  1.9762403094E-04
  4.9267213059E-04  0.0000000000E+00 -5.1301618873E-04
  1.9762403094E-04 -5.1301618873E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  5.1301618873E-04  1.9762403094E-04  1.0056342432E-03
  1.9762403094E-04 -5.1301618873E-04  0.0000000000E+00
  1.0056342432E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.9267213059E-04  1.9762403094E-04
  4.9267213059E-04  0.0000000000E+00 -5.1301618873E-04
  1.9762403094E-04 -5.1301618873E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.3187250834E-04  0.0000000000E+00 -5.1301618873E-04
  0.0000000000E+00  7.5347175284E-04 -1.9762403094E-04
 -5.1301618873E-04 -1.9762403094E-04 -5.3710011532E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  1.9762403094E-04 -5.1301618873E-04  0.0000000000E+00
 -5.1301618873E-04 -1.9762403094E-04  1.0056342432E-03
  0.0000000000E+00  1.0056342432E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  5.1301618873E-04  1.9762403094E-04  1.0056342432E-03
  1.9762403094E-04 -5.1301618873E-04  0.0000000000E+00
  1.0056342432E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.9762403094E-04 -5.1301618873E-04  0.0000000000E+00
 -5.1301618873E-04 -1.9762403094E-04  1.0056342432E-03
  0.0000000000E+00  1.0056342432E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.3710011532E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.3710011532E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1871465406E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.6134251355E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6134251355E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6314815681E-02

 Crystal Tensor_qq(ke,je,1,1)
  4.5208305171E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3912350501E-03  1.1857441856E-03
  0.0000000000E+00  1.1857441856E-03 -3.2226006919E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.9560327836E-03  1.1857441856E-03
  2.9560327836E-03  0.0000000000E+00  0.0000000000E+00
  1.1857441856E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.1857441856E-03  6.0338054592E-03
  1.1857441856E-03  0.0000000000E+00  0.0000000000E+00
  6.0338054592E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.9560327836E-03  1.1857441856E-03
  2.9560327836E-03  0.0000000000E+00  0.0000000000E+00
  1.1857441856E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.3912350501E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5208305171E-03 -1.1857441856E-03
  0.0000000000E+00 -1.1857441856E-03 -3.2226006919E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.1857441856E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1857441856E-03  6.0338054592E-03
  0.0000000000E+00  6.0338054592E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.1857441856E-03  6.0338054592E-03
  1.1857441856E-03  0.0000000000E+00  0.0000000000E+00
  6.0338054592E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.1857441856E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1857441856E-03  6.0338054592E-03
  0.0000000000E+00  6.0338054592E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.2226006919E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2226006919E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.1228792433E-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  1.90903E-02  1.90903E-02  2.21681E-02  2.07468E-02  2.23486E-02  2.07468E-02  2.07992E-02
   dip-dip  1.61343E-02  1.61343E-02  1.61343E-02  1.62245E-02  1.63148E-02  1.62245E-02  1.61944E-02
   qua-qua  2.95603E-03  2.95603E-03  6.03381E-03  4.52223E-03  6.03381E-03  4.52223E-03  4.60479E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.74684E-02 -3.37866E-17 -8.80571E-02 -6.98401E-17
   dip-dip  0.00000E+00 -3.56742E-19  0.00000E+00 -2.92703E-19
   qua-qua -2.74684E-02 -3.34298E-17 -8.80571E-02 -6.95474E-17

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

 Energ =  -6.90000 eV

 Vmoy = -20.04252 eV, Vmftabs = -23.37091 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.959E-06  5.300E-08    5.482E-03 -5.857E-05    1.027E-03 -1.099E-05
  1  0    1  1      2.166E-03  3.995E-07   -5.538E-02 -9.489E-06   -6.272E-03 -9.370E-07
  2  0    1  1      3.003E-04 -2.312E-06   -1.255E-02  9.678E-05   -2.401E-03  1.854E-05
  3  0    1  1      7.641E-06 -1.190E-07   -4.218E-04  6.575E-06   -1.037E-04  1.618E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.5789916111E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5789916111E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6333502411E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  7.5217793061E-04  0.0000000000E+00  6.3765313514E-04
  0.0000000000E+00 -3.6971664942E-04  2.4734385961E-04
  6.3765313514E-04  2.4734385961E-04 -3.7836330872E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.6094729001E-04  2.4734385961E-04
  5.6094729001E-04  0.0000000000E+00 -6.3765313514E-04
  2.4734385961E-04 -6.3765313514E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  6.3765313514E-04  2.4734385961E-04  1.1968426846E-03
  2.4734385961E-04 -6.3765313514E-04  0.0000000000E+00
  1.1968426846E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.6094729001E-04  2.4734385961E-04
  5.6094729001E-04  0.0000000000E+00 -6.3765313514E-04
  2.4734385961E-04 -6.3765313514E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.6971664942E-04  0.0000000000E+00 -6.3765313514E-04
  0.0000000000E+00  7.5217793061E-04 -2.4734385961E-04
 -6.3765313514E-04 -2.4734385961E-04 -3.7836330872E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  2.4734385961E-04 -6.3765313514E-04  0.0000000000E+00
 -6.3765313514E-04 -2.4734385961E-04  1.1968426846E-03
  0.0000000000E+00  1.1968426846E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  6.3765313514E-04  2.4734385961E-04  1.1968426846E-03
  2.4734385961E-04 -6.3765313514E-04  0.0000000000E+00
  1.1968426846E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.4734385961E-04 -6.3765313514E-04  0.0000000000E+00
 -6.3765313514E-04 -2.4734385961E-04  1.1968426846E-03
  0.0000000000E+00  1.1968426846E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.7836330872E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7836330872E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.2423879657E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.5473949667E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5473949667E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5800101447E-02

 Crystal Tensor_qq(ke,je,1,1)
  4.5130675836E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2182998965E-03  1.4840631577E-03
  0.0000000000E+00  1.4840631577E-03 -2.2701798523E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.3656837401E-03  1.4840631577E-03
  3.3656837401E-03  0.0000000000E+00  0.0000000000E+00
  1.4840631577E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.4840631577E-03  7.1810561075E-03
  1.4840631577E-03  0.0000000000E+00  0.0000000000E+00
  7.1810561075E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.3656837401E-03  1.4840631577E-03
  3.3656837401E-03  0.0000000000E+00  0.0000000000E+00
  1.4840631577E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.2182998965E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5130675836E-03 -1.4840631577E-03
  0.0000000000E+00 -1.4840631577E-03 -2.2701798523E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.4840631577E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4840631577E-03  7.1810561075E-03
  0.0000000000E+00  7.1810561075E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.4840631577E-03  7.1810561075E-03
  1.4840631577E-03  0.0000000000E+00  0.0000000000E+00
  7.1810561075E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.4840631577E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4840631577E-03  7.1810561075E-03
  0.0000000000E+00  7.1810561075E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.2701798523E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2701798523E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.9454327794E-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  1.88396E-02  1.88396E-02  2.26550E-02  1.91367E-02  2.29812E-02  1.91367E-02  2.05102E-02
   dip-dip  1.54739E-02  1.54739E-02  1.54739E-02  1.56370E-02  1.58001E-02  1.56370E-02  1.55827E-02
   qua-qua  3.36568E-03  3.36568E-03  7.18106E-03  3.49972E-03  7.18106E-03  3.49972E-03  4.92757E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.41423E-02 -4.23243E-17 -1.09452E-01 -8.70560E-17
   dip-dip  0.00000E+00 -6.44388E-19  0.00000E+00 -5.28714E-19
   qua-qua -3.41423E-02 -4.16799E-17 -1.09452E-01 -8.65273E-17

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

 Energ =  -6.80000 eV

 Vmoy = -20.04303 eV, Vmftabs = -23.37073 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.903E-06  5.174E-08    5.420E-03 -5.718E-05    1.015E-03 -1.073E-05
  1  0    1  1      2.170E-03  7.545E-07   -5.550E-02 -1.857E-05   -6.286E-03 -1.965E-06
  2  0    1  1      2.980E-04 -2.250E-06   -1.246E-02  9.421E-05   -2.383E-03  1.805E-05
  3  0    1  1      7.524E-06 -1.157E-07   -4.154E-04  6.390E-06   -1.021E-04  1.573E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.5011120815E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5011120815E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5640494759E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  7.9514124409E-04  0.0000000000E+00  7.8353729605E-04
  0.0000000000E+00 -5.0878956412E-04  3.0572871577E-04
  7.8353729605E-04  3.0572871577E-04 -2.7046654421E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.5196540411E-04  3.0572871577E-04
  6.5196540411E-04  0.0000000000E+00 -7.8353729605E-04
  3.0572871577E-04 -7.8353729605E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  7.8353729605E-04  3.0572871577E-04  1.4241817214E-03
  3.0572871577E-04 -7.8353729605E-04  0.0000000000E+00
  1.4241817214E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.5196540411E-04  3.0572871577E-04
  6.5196540411E-04  0.0000000000E+00 -7.8353729605E-04
  3.0572871577E-04 -7.8353729605E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -5.0878956412E-04  0.0000000000E+00 -7.8353729605E-04
  0.0000000000E+00  7.9514124409E-04 -3.0572871577E-04
 -7.8353729605E-04 -3.0572871577E-04 -2.7046654421E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  3.0572871577E-04 -7.8353729605E-04  0.0000000000E+00
 -7.8353729605E-04 -3.0572871577E-04  1.4241817214E-03
  0.0000000000E+00  1.4241817214E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  7.8353729605E-04  3.0572871577E-04  1.4241817214E-03
  3.0572871577E-04 -7.8353729605E-04  0.0000000000E+00
  1.4241817214E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.0572871577E-04 -7.8353729605E-04  0.0000000000E+00
 -7.8353729605E-04 -3.0572871577E-04  1.4241817214E-03
  0.0000000000E+00  1.4241817214E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.7046654421E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.7046654421E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.8139599264E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.5006672489E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5006672489E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5384296856E-02

 Crystal Tensor_qq(ke,je,1,1)
  4.7708474645E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0527373847E-03  1.8343722946E-03
  0.0000000000E+00  1.8343722946E-03 -1.6227992652E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.9117924246E-03  1.8343722946E-03
  3.9117924246E-03  0.0000000000E+00  0.0000000000E+00
  1.8343722946E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.8343722946E-03  8.5450903287E-03
  1.8343722946E-03  0.0000000000E+00  0.0000000000E+00
  8.5450903287E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.9117924246E-03  1.8343722946E-03
  3.9117924246E-03  0.0000000000E+00  0.0000000000E+00
  1.8343722946E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.0527373847E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7708474645E-03 -1.8343722946E-03
  0.0000000000E+00 -1.8343722946E-03 -1.6227992652E-03

 Crystal Tensor_qq(ke,je,3,2)
  1.8343722946E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8343722946E-03  8.5450903287E-03
  0.0000000000E+00  8.5450903287E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.8343722946E-03  8.5450903287E-03
  1.8343722946E-03  0.0000000000E+00  0.0000000000E+00
  8.5450903287E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.8343722946E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8343722946E-03  8.5450903287E-03
  0.0000000000E+00  8.5450903287E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.6227992652E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6227992652E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4883759558E-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  1.89185E-02  1.89185E-02  2.35518E-02  1.80717E-02  2.39294E-02  1.80717E-02  2.06215E-02
   dip-dip  1.50067E-02  1.50067E-02  1.50067E-02  1.51955E-02  1.53843E-02  1.51955E-02  1.51325E-02
   qua-qua  3.91179E-03  3.91179E-03  8.54509E-03  2.87621E-03  8.54509E-03  2.87621E-03  5.48896E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.19540E-02 -5.20203E-17 -1.34494E-01 -1.06989E-16
   dip-dip  0.00000E+00 -7.46093E-19  0.00000E+00 -6.12162E-19
   qua-qua -4.19540E-02 -5.12742E-17 -1.34494E-01 -1.06377E-16

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

 Energ =  -6.70000 eV

 Vmoy = -20.04353 eV, Vmftabs = -23.37056 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.848E-06  5.052E-08    5.360E-03 -5.584E-05    1.004E-03 -1.047E-05
  1  0    1  1      2.175E-03  1.110E-06   -5.563E-02 -2.765E-05   -6.300E-03 -2.993E-06
  2  0    1  1      2.957E-04 -2.191E-06   -1.236E-02  9.172E-05   -2.365E-03  1.758E-05
  3  0    1  1      7.411E-06 -1.125E-07   -4.091E-04  6.213E-06   -1.006E-04  1.529E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.4432858413E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4432858413E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5071201212E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  8.6977840831E-04  0.0000000000E+00  9.4524733365E-04
  0.0000000000E+00 -6.4760725543E-04  3.7066331280E-04
  9.4524733365E-04  3.7066331280E-04 -1.9956209122E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.5869283187E-04  3.7066331280E-04
  7.5869283187E-04  0.0000000000E+00 -9.4524733365E-04
  3.7066331280E-04 -9.4524733365E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  9.4524733365E-04  3.7066331280E-04  1.6810109934E-03
  3.7066331280E-04 -9.4524733365E-04  0.0000000000E+00
  1.6810109934E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.5869283187E-04  3.7066331280E-04
  7.5869283187E-04  0.0000000000E+00 -9.4524733365E-04
  3.7066331280E-04 -9.4524733365E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.4760725543E-04  0.0000000000E+00 -9.4524733365E-04
  0.0000000000E+00  8.6977840831E-04 -3.7066331280E-04
 -9.4524733365E-04 -3.7066331280E-04 -1.9956209122E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  3.7066331280E-04 -9.4524733365E-04  0.0000000000E+00
 -9.4524733365E-04 -3.7066331280E-04  1.6810109934E-03
  0.0000000000E+00  1.6810109934E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  9.4524733365E-04  3.7066331280E-04  1.6810109934E-03
  3.7066331280E-04 -9.4524733365E-04  0.0000000000E+00
  1.6810109934E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.7066331280E-04 -9.4524733365E-04  0.0000000000E+00
 -9.4524733365E-04 -3.7066331280E-04  1.6810109934E-03
  0.0000000000E+00  1.6810109934E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.9956209122E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9956209122E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2427106012E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.4659715048E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4659715048E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5042720727E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.2186704499E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.8856435326E-03  2.2239798768E-03
  0.0000000000E+00  2.2239798768E-03 -1.1973725473E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.5521569912E-03  2.2239798768E-03
  4.5521569912E-03  0.0000000000E+00  0.0000000000E+00
  2.2239798768E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.2239798768E-03  1.0086065960E-02
  2.2239798768E-03  0.0000000000E+00  0.0000000000E+00
  1.0086065960E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.5521569912E-03  2.2239798768E-03
  4.5521569912E-03  0.0000000000E+00  0.0000000000E+00
  2.2239798768E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.8856435326E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2186704499E-03 -2.2239798768E-03
  0.0000000000E+00 -2.2239798768E-03 -1.1973725473E-03

 Crystal Tensor_qq(ke,je,3,2)
  2.2239798768E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2239798768E-03  1.0086065960E-02
  0.0000000000E+00  1.0086065960E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.2239798768E-03  1.0086065960E-02
  2.2239798768E-03  0.0000000000E+00  0.0000000000E+00
  1.0086065960E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.2239798768E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2239798768E-03  1.0086065960E-02
  0.0000000000E+00  1.0086065960E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.1973725473E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1973725473E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5456263607E-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  1.92119E-02  1.92119E-02  2.47458E-02  1.73910E-02  2.51288E-02  1.73910E-02  2.10165E-02
   dip-dip  1.46597E-02  1.46597E-02  1.46597E-02  1.48512E-02  1.50427E-02  1.48512E-02  1.47874E-02
   qua-qua  4.55216E-03  4.55216E-03  1.00861E-02  2.53976E-03  1.00861E-02  2.53976E-03  6.22908E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -5.06133E-02 -6.26596E-17 -1.62254E-01 -1.28996E-16
   dip-dip  0.00000E+00 -7.56735E-19  0.00000E+00 -6.20894E-19
   qua-qua -5.06133E-02 -6.19028E-17 -1.62254E-01 -1.28375E-16

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

 Energ =  -6.60000 eV

 Vmoy = -20.04401 eV, Vmftabs = -23.37039 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.795E-06  4.935E-08    5.301E-03 -5.454E-05    9.931E-04 -1.023E-05
  1  0    1  1      2.181E-03  1.466E-06   -5.577E-02 -3.677E-05   -6.316E-03 -4.025E-06
  2  0    1  1      2.935E-04 -2.134E-06   -1.227E-02  8.932E-05   -2.347E-03  1.712E-05
  3  0    1  1      7.301E-06 -1.094E-07   -4.031E-04  6.042E-06   -9.912E-05  1.487E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3983979284E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3983979284E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4592025812E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  9.5785963404E-04  0.0000000000E+00  1.1081531899E-03
  0.0000000000E+00 -7.7916115916E-04  4.3636098140E-04
  1.1081531899E-03  4.3636098140E-04 -1.5232156971E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.6851039660E-04  4.3636098140E-04
  8.6851039660E-04  0.0000000000E+00 -1.1081531899E-03
  4.3636098140E-04 -1.1081531899E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.1081531899E-03  4.3636098140E-04  1.9449193166E-03
  4.3636098140E-04 -1.1081531899E-03  0.0000000000E+00
  1.9449193166E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.6851039660E-04  4.3636098140E-04
  8.6851039660E-04  0.0000000000E+00 -1.1081531899E-03
  4.3636098140E-04 -1.1081531899E-03  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.7916115916E-04  0.0000000000E+00 -1.1081531899E-03
  0.0000000000E+00  9.5785963404E-04 -4.3636098140E-04
 -1.1081531899E-03 -4.3636098140E-04 -1.5232156971E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  4.3636098140E-04 -1.1081531899E-03  0.0000000000E+00
 -1.1081531899E-03 -4.3636098140E-04  1.9449193166E-03
  0.0000000000E+00  1.9449193166E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.1081531899E-03  4.3636098140E-04  1.9449193166E-03
  4.3636098140E-04 -1.1081531899E-03  0.0000000000E+00
  1.9449193166E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.3636098140E-04 -1.1081531899E-03  0.0000000000E+00
 -1.1081531899E-03 -4.3636098140E-04  1.9449193166E-03
  0.0000000000E+00  1.9449193166E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.5232156971E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.5232156971E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2125373959E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.4390387571E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4390387571E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4755215487E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.7471578042E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6749669549E-03  2.6181658884E-03
  0.0000000000E+00  2.6181658884E-03 -9.1392941826E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.2110623796E-03  2.6181658884E-03
  5.2110623796E-03  0.0000000000E+00  0.0000000000E+00
  2.6181658884E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.6181658884E-03  1.1669515900E-02
  2.6181658884E-03  0.0000000000E+00  0.0000000000E+00
  1.1669515900E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.2110623796E-03  2.6181658884E-03
  5.2110623796E-03  0.0000000000E+00  0.0000000000E+00
  2.6181658884E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.6749669549E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7471578042E-03 -2.6181658884E-03
  0.0000000000E+00 -2.6181658884E-03 -9.1392941826E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.6181658884E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6181658884E-03  1.1669515900E-02
  0.0000000000E+00  1.1669515900E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.6181658884E-03  1.1669515900E-02
  2.6181658884E-03  0.0000000000E+00  0.0000000000E+00
  1.1669515900E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.6181658884E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6181658884E-03  1.1669515900E-02
  0.0000000000E+00  1.1669515900E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -9.1392941826E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.1392941826E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9275224375E-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  1.96014E-02  1.96014E-02  2.60599E-02  1.69484E-02  2.64247E-02  1.69484E-02  2.15503E-02
   dip-dip  1.43904E-02  1.43904E-02  1.43904E-02  1.45728E-02  1.47552E-02  1.45728E-02  1.45120E-02
   qua-qua  5.21106E-03  5.21106E-03  1.16695E-02  2.37563E-03  1.16695E-02  2.37563E-03  7.03833E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -5.93369E-02 -7.33616E-17 -1.90220E-01 -1.51137E-16
   dip-dip  0.00000E+00 -7.20829E-19  0.00000E+00 -5.91434E-19
   qua-qua -5.93369E-02 -7.26407E-17 -1.90220E-01 -1.50546E-16

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

 Energ =  -6.50000 eV

 Vmoy = -20.04445 eV, Vmftabs = -23.37022 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.742E-06  4.821E-08    5.243E-03 -5.328E-05    9.823E-04 -9.994E-06
  1  0    1  1      2.187E-03  1.824E-06   -5.592E-02 -4.591E-05   -6.333E-03 -5.060E-06
  2  0    1  1      2.913E-04 -2.078E-06   -1.218E-02  8.700E-05   -2.330E-03  1.667E-05
  3  0    1  1      7.195E-06 -1.064E-07   -3.972E-04  5.878E-06   -9.767E-05  1.447E-06

 iapr =  2, Z =  8, lmax = 2

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3621539227E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3621539227E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4179281961E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0347005003E-03  0.0000000000E+00  1.2448391858E-03
  0.0000000000E+00 -8.8635356509E-04  4.9188276400E-04
  1.2448391858E-03  4.9188276400E-04 -1.1989488271E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  9.6052703271E-04  4.9188276400E-04
  9.6052703271E-04  0.0000000000E+00 -1.2448391858E-03
  4.9188276400E-04 -1.2448391858E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.2448391858E-03  4.9188276400E-04  2.1714432941E-03
  4.9188276400E-04 -1.2448391858E-03  0.0000000000E+00
  2.1714432941E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  9.6052703271E-04  4.9188276400E-04
  9.6052703271E-04  0.0000000000E+00 -1.2448391858E-03
  4.9188276400E-04 -1.2448391858E-03  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.8635356509E-04  0.0000000000E+00 -1.2448391858E-03
  0.0000000000E+00  1.0347005003E-03 -4.9188276400E-04
 -1.2448391858E-03 -4.9188276400E-04 -1.1989488271E-04

 Tensor_qq(ke,je,3,2), prototypical atom
  4.9188276400E-04 -1.2448391858E-03  0.0000000000E+00
 -1.2448391858E-03 -4.9188276400E-04  2.1714432941E-03
  0.0000000000E+00  2.1714432941E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.2448391858E-03  4.9188276400E-04  2.1714432941E-03
  4.9188276400E-04 -1.2448391858E-03  0.0000000000E+00
  2.1714432941E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.9188276400E-04 -1.2448391858E-03  0.0000000000E+00
 -1.2448391858E-03 -4.9188276400E-04  2.1714432941E-03
  0.0000000000E+00  2.1714432941E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.1989488271E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1989488271E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5171780573E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.4172923536E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4172923536E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4507569177E-02

 Crystal Tensor_qq(ke,je,1,1)
  6.2082030019E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.3181213905E-03  2.9512965840E-03
  0.0000000000E+00  2.9512965840E-03 -7.1936929627E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.7631621962E-03  2.9512965840E-03
  5.7631621962E-03  0.0000000000E+00  0.0000000000E+00
  2.9512965840E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.9512965840E-03  1.3028659765E-02
  2.9512965840E-03  0.0000000000E+00  0.0000000000E+00
  1.3028659765E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.7631621962E-03  2.9512965840E-03
  5.7631621962E-03  0.0000000000E+00  0.0000000000E+00
  2.9512965840E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.3181213905E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2082030019E-03 -2.9512965840E-03
  0.0000000000E+00 -2.9512965840E-03 -7.1936929627E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.9512965840E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9512965840E-03  1.3028659765E-02
  0.0000000000E+00  1.3028659765E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.9512965840E-03  1.3028659765E-02
  2.9512965840E-03  0.0000000000E+00  0.0000000000E+00
  1.3028659765E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.9512965840E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9512965840E-03  1.3028659765E-02
  0.0000000000E+00  1.3028659765E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -7.1936929627E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.1936929627E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5103068344E-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  1.99361E-02  1.99361E-02  2.72016E-02  1.66296E-02  2.75362E-02  1.66296E-02  2.20275E-02
   dip-dip  1.41729E-02  1.41729E-02  1.41729E-02  1.43402E-02  1.45076E-02  1.43402E-02  1.42845E-02
   qua-qua  5.76316E-03  5.76316E-03  1.30287E-02  2.28931E-03  1.30287E-02  2.28931E-03  7.74300E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.66567E-02 -8.23687E-17 -2.13685E-01 -1.69711E-16
   dip-dip  0.00000E+00 -6.61203E-19  0.00000E+00 -5.42511E-19
   qua-qua -6.66567E-02 -8.17075E-17 -2.13685E-01 -1.69168E-16

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

 Energ =  -6.40000 eV

 Vmoy = -20.04483 eV, Vmftabs = -23.37005 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.692E-06  4.711E-08    5.187E-03 -5.206E-05    9.717E-04 -9.766E-06
  1  0    1  1      2.193E-03  2.183E-06   -5.608E-02 -5.509E-05   -6.352E-03 -6.099E-06
  2  0    1  1      2.892E-04 -2.024E-06   -1.209E-02  8.475E-05   -2.313E-03  1.624E-05
  3  0    1  1      7.091E-06 -1.036E-07   -3.914E-04  5.720E-06   -9.626E-05  1.408E-06

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3343183562E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3343183562E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3834631097E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0704297642E-03  0.0000000000E+00  1.3186445263E-03
  0.0000000000E+00 -9.4482070558E-04  5.2254777269E-04
  1.3186445263E-03  5.2254777269E-04 -9.6153867579E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.0076252349E-03  5.2254777269E-04
  1.0076252349E-03  0.0000000000E+00 -1.3186445263E-03
  5.2254777269E-04 -1.3186445263E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.3186445263E-03  5.2254777269E-04  2.2994330875E-03
  5.2254777269E-04 -1.3186445263E-03  0.0000000000E+00
  2.2994330875E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.0076252349E-03  5.2254777269E-04
  1.0076252349E-03  0.0000000000E+00 -1.3186445263E-03
  5.2254777269E-04 -1.3186445263E-03  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -9.4482070558E-04  0.0000000000E+00 -1.3186445263E-03
  0.0000000000E+00  1.0704297642E-03 -5.2254777269E-04
 -1.3186445263E-03 -5.2254777269E-04 -9.6153867579E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  5.2254777269E-04 -1.3186445263E-03  0.0000000000E+00
 -1.3186445263E-03 -5.2254777269E-04  2.2994330875E-03
  0.0000000000E+00  2.2994330875E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.3186445263E-03  5.2254777269E-04  2.2994330875E-03
  5.2254777269E-04 -1.3186445263E-03  0.0000000000E+00
  2.2994330875E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  5.2254777269E-04 -1.3186445263E-03  0.0000000000E+00
 -1.3186445263E-03 -5.2254777269E-04  2.2994330875E-03
  0.0000000000E+00  2.2994330875E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -9.6153867579E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.6153867579E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0197773933E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.4005910137E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4005910137E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4300778658E-02

 Crystal Tensor_qq(ke,je,1,1)
  6.4225785855E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6689242335E-03  3.1352866361E-03
  0.0000000000E+00  3.1352866361E-03 -5.7692320547E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.0457514095E-03  3.1352866361E-03
  6.0457514095E-03  0.0000000000E+00  0.0000000000E+00
  3.1352866361E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.1352866361E-03  1.3796598525E-02
  3.1352866361E-03  0.0000000000E+00  0.0000000000E+00
  1.3796598525E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.0457514095E-03  3.1352866361E-03
  6.0457514095E-03  0.0000000000E+00  0.0000000000E+00
  3.1352866361E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.6689242335E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.4225785855E-03 -3.1352866361E-03
  0.0000000000E+00 -3.1352866361E-03 -5.7692320547E-04

 Crystal Tensor_qq(ke,je,3,2)
  3.1352866361E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1352866361E-03  1.3796598525E-02
  0.0000000000E+00  1.3796598525E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.1352866361E-03  1.3796598525E-02
  3.1352866361E-03  0.0000000000E+00  0.0000000000E+00
  1.3796598525E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.1352866361E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.1352866361E-03  1.3796598525E-02
  0.0000000000E+00  1.3796598525E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.7692320547E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.7692320547E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2118664360E-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  2.00517E-02  2.00517E-02  2.78025E-02  1.63504E-02  2.80974E-02  1.63504E-02  2.22240E-02
   dip-dip  1.40059E-02  1.40059E-02  1.40059E-02  1.41533E-02  1.43008E-02  1.41533E-02  1.41042E-02
   qua-qua  6.04575E-03  6.04575E-03  1.37966E-02  2.19707E-03  1.37966E-02  2.19707E-03  8.11978E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.06097E-02 -8.72824E-17 -2.26358E-01 -1.79738E-16
   dip-dip  0.00000E+00 -5.82618E-19  0.00000E+00 -4.78033E-19
   qua-qua -7.06097E-02 -8.66998E-17 -2.26358E-01 -1.79260E-16

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

 Energ =  -6.30000 eV

 Vmoy = -20.04516 eV, Vmftabs = -23.36988 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.642E-06  4.605E-08    5.132E-03 -5.089E-05    9.614E-04 -9.546E-06
  1  0    1  1      2.200E-03  2.544E-06   -5.626E-02 -6.431E-05   -6.371E-03 -7.144E-06
  2  0    1  1      2.872E-04 -1.972E-06   -1.201E-02  8.258E-05   -2.297E-03  1.583E-05
  3  0    1  1      6.990E-06 -1.008E-07   -3.859E-04  5.568E-06   -9.490E-05  1.370E-06

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3079663638E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3079663638E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3509448275E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0460444916E-03  0.0000000000E+00  1.3009366868E-03
  0.0000000000E+00 -9.3659725926E-04  5.1662955906E-04
  1.3009366868E-03  5.1662955906E-04 -7.9455012940E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  9.9132087544E-04  5.1662955906E-04
  9.9132087544E-04  0.0000000000E+00 -1.3009366868E-03
  5.1662955906E-04 -1.3009366868E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.3009366868E-03  5.1662955906E-04  2.2774116699E-03
  5.1662955906E-04 -1.3009366868E-03  0.0000000000E+00
  2.2774116699E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  9.9132087544E-04  5.1662955906E-04
  9.9132087544E-04  0.0000000000E+00 -1.3009366868E-03
  5.1662955906E-04 -1.3009366868E-03  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -9.3659725926E-04  0.0000000000E+00 -1.3009366868E-03
  0.0000000000E+00  1.0460444916E-03 -5.1662955906E-04
 -1.3009366868E-03 -5.1662955906E-04 -7.9455012940E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  5.1662955906E-04 -1.3009366868E-03  0.0000000000E+00
 -1.3009366868E-03 -5.1662955906E-04  2.2774116699E-03
  0.0000000000E+00  2.2774116699E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.3009366868E-03  5.1662955906E-04  2.2774116699E-03
  5.1662955906E-04 -1.3009366868E-03  0.0000000000E+00
  2.2774116699E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  5.1662955906E-04 -1.3009366868E-03  0.0000000000E+00
 -1.3009366868E-03 -5.1662955906E-04  2.2774116699E-03
  0.0000000000E+00  2.2774116699E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -7.9455012940E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.9455012940E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6737881819E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3847798183E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3847798183E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4105668965E-02

 Crystal Tensor_qq(ke,je,1,1)
  6.2762669498E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.6195835556E-03  3.0997773544E-03
  0.0000000000E+00  3.0997773544E-03 -4.7673007764E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.9479252527E-03  3.0997773544E-03
  5.9479252527E-03  0.0000000000E+00  0.0000000000E+00
  3.0997773544E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.0997773544E-03  1.3664470019E-02
  3.0997773544E-03  0.0000000000E+00  0.0000000000E+00
  1.3664470019E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.9479252527E-03  3.0997773544E-03
  5.9479252527E-03  0.0000000000E+00  0.0000000000E+00
  3.0997773544E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.6195835556E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2762669498E-03 -3.0997773544E-03
  0.0000000000E+00 -3.0997773544E-03 -4.7673007764E-04

 Crystal Tensor_qq(ke,je,3,2)
  3.0997773544E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0997773544E-03  1.3664470019E-02
  0.0000000000E+00  1.3664470019E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.0997773544E-03  1.3664470019E-02
  3.0997773544E-03  0.0000000000E+00  0.0000000000E+00
  1.3664470019E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.0997773544E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0997773544E-03  1.3664470019E-02
  0.0000000000E+00  1.3664470019E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.7673007764E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7673007764E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0042729092E-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  1.97957E-02  1.97957E-02  2.75123E-02  1.60352E-02  2.77701E-02  1.60352E-02  2.19311E-02
   dip-dip  1.38478E-02  1.38478E-02  1.38478E-02  1.39767E-02  1.41057E-02  1.39767E-02  1.39338E-02
   qua-qua  5.94793E-03  5.94793E-03  1.36645E-02  2.05850E-03  1.36645E-02  2.05850E-03  7.99736E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.96624E-02 -8.61896E-17 -2.23321E-01 -1.77327E-16
   dip-dip  0.00000E+00 -5.09522E-19  0.00000E+00 -4.18058E-19
   qua-qua -6.96624E-02 -8.56800E-17 -2.23321E-01 -1.76909E-16

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

 Energ =  -6.20000 eV

 Vmoy = -20.04545 eV, Vmftabs = -23.36971 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.593E-06  4.502E-08    5.078E-03 -4.976E-05    9.513E-04 -9.333E-06
  1  0    1  1      2.207E-03  2.907E-06   -5.644E-02 -7.360E-05   -6.392E-03 -8.195E-06
  2  0    1  1      2.852E-04 -1.922E-06   -1.192E-02  8.047E-05   -2.281E-03  1.542E-05
  3  0    1  1      6.892E-06 -9.816E-08   -3.805E-04  5.422E-06   -9.356E-05  1.334E-06

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2845647989E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2845647989E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3215394966E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  9.6673060757E-04  0.0000000000E+00  1.2011314671E-03
  0.0000000000E+00 -8.6969286697E-04  4.7771385417E-04
  1.2011314671E-03  4.7771385417E-04 -6.6849158028E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  9.1821173727E-04  4.7771385417E-04
  9.1821173727E-04  0.0000000000E+00 -1.2011314671E-03
  4.7771385417E-04 -1.2011314671E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.2011314671E-03  4.7771385417E-04  2.1174681572E-03
  4.7771385417E-04 -1.2011314671E-03  0.0000000000E+00
  2.1174681572E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  9.1821173727E-04  4.7771385417E-04
  9.1821173727E-04  0.0000000000E+00 -1.2011314671E-03
  4.7771385417E-04 -1.2011314671E-03  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.6969286697E-04  0.0000000000E+00 -1.2011314671E-03
  0.0000000000E+00  9.6673060757E-04 -4.7771385417E-04
 -1.2011314671E-03 -4.7771385417E-04 -6.6849158028E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  4.7771385417E-04 -1.2011314671E-03  0.0000000000E+00
 -1.2011314671E-03 -4.7771385417E-04  2.1174681572E-03
  0.0000000000E+00  2.1174681572E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.2011314671E-03  4.7771385417E-04  2.1174681572E-03
  4.7771385417E-04 -1.2011314671E-03  0.0000000000E+00
  2.1174681572E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.7771385417E-04 -1.2011314671E-03  0.0000000000E+00
 -1.2011314671E-03 -4.7771385417E-04  2.1174681572E-03
  0.0000000000E+00  2.1174681572E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -6.6849158028E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.6849158028E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4174289543E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3707388794E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3707388794E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3929236979E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.8003836454E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.2181572018E-03  2.8662831250E-03
  0.0000000000E+00  2.8662831250E-03 -4.0109494817E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.5092704236E-03  2.8662831250E-03
  5.5092704236E-03  0.0000000000E+00  0.0000000000E+00
  2.8662831250E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.8662831250E-03  1.2704808943E-02
  2.8662831250E-03  0.0000000000E+00  0.0000000000E+00
  1.2704808943E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.5092704236E-03  2.8662831250E-03
  5.5092704236E-03  0.0000000000E+00  0.0000000000E+00
  2.8662831250E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.2181572018E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8003836454E-03 -2.8662831250E-03
  0.0000000000E+00 -2.8662831250E-03 -4.0109494817E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.8662831250E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8662831250E-03  1.2704808943E-02
  0.0000000000E+00  1.2704808943E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.8662831250E-03  1.2704808943E-02
  2.8662831250E-03  0.0000000000E+00  0.0000000000E+00
  1.2704808943E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.8662831250E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.8662831250E-03  1.2704808943E-02
  0.0000000000E+00  1.2704808943E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.0109494817E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0109494817E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.5045737260E-04

 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  1.92167E-02  1.92167E-02  2.64122E-02  1.56816E-02  2.66340E-02  1.56816E-02  2.11966E-02
   dip-dip  1.37074E-02  1.37074E-02  1.37074E-02  1.38183E-02  1.39292E-02  1.38183E-02  1.37813E-02
   qua-qua  5.50927E-03  5.50927E-03  1.27048E-02  1.86326E-03  1.27048E-02  1.86326E-03  7.41522E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.43188E-02 -7.96711E-17 -2.06191E-01 -1.63743E-16
   dip-dip  0.00000E+00 -4.38352E-19  0.00000E+00 -3.59663E-19
   qua-qua -6.43188E-02 -7.92328E-17 -2.06191E-01 -1.63383E-16

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

 Energ =  -6.10000 eV

 Vmoy = -20.04569 eV, Vmftabs = -23.36954 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.546E-06  4.403E-08    5.026E-03 -4.866E-05    9.415E-04 -9.128E-06
  1  0    1  1      2.215E-03  3.273E-06   -5.663E-02 -8.295E-05   -6.414E-03 -9.253E-06
  2  0    1  1      2.833E-04 -1.873E-06   -1.184E-02  7.844E-05   -2.265E-03  1.503E-05
  3  0    1  1      6.797E-06 -9.561E-08   -3.752E-04  5.281E-06   -9.227E-05  1.300E-06

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2633677222E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2633677222E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2946953848E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  8.5427821251E-04  0.0000000000E+00  1.0506344048E-03
  0.0000000000E+00 -7.6701145703E-04  4.1824943274E-04
  1.0506344048E-03  4.1824943274E-04 -5.7084986173E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.1064483477E-04  4.1824943274E-04
  8.1064483477E-04  0.0000000000E+00 -1.0506344048E-03
  4.1824943274E-04 -1.0506344048E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.0506344048E-03  4.1824943274E-04  1.8693085827E-03
  4.1824943274E-04 -1.0506344048E-03  0.0000000000E+00
  1.8693085827E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.1064483477E-04  4.1824943274E-04
  8.1064483477E-04  0.0000000000E+00 -1.0506344048E-03
  4.1824943274E-04 -1.0506344048E-03  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.6701145703E-04  0.0000000000E+00 -1.0506344048E-03
  0.0000000000E+00  8.5427821251E-04 -4.1824943274E-04
 -1.0506344048E-03 -4.1824943274E-04 -5.7084986173E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  4.1824943274E-04 -1.0506344048E-03  0.0000000000E+00
 -1.0506344048E-03 -4.1824943274E-04  1.8693085827E-03
  0.0000000000E+00  1.8693085827E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.0506344048E-03  4.1824943274E-04  1.8693085827E-03
  4.1824943274E-04 -1.0506344048E-03  0.0000000000E+00
  1.8693085827E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.1824943274E-04 -1.0506344048E-03  0.0000000000E+00
 -1.0506344048E-03 -4.1824943274E-04  1.8693085827E-03
  0.0000000000E+00  1.8693085827E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.7084986173E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.7084986173E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2226138161E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3580206333E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3580206333E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3768172309E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.1256692750E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.6020687422E-03  2.5094965964E-03
  0.0000000000E+00  2.5094965964E-03 -3.4250991704E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.8638690086E-03  2.5094965964E-03
  4.8638690086E-03  0.0000000000E+00  0.0000000000E+00
  2.5094965964E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.5094965964E-03  1.1215851496E-02
  2.5094965964E-03  0.0000000000E+00  0.0000000000E+00
  1.1215851496E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.8638690086E-03  2.5094965964E-03
  4.8638690086E-03  0.0000000000E+00  0.0000000000E+00
  2.5094965964E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.6020687422E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1256692750E-03 -2.5094965964E-03
  0.0000000000E+00 -2.5094965964E-03 -3.4250991704E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.5094965964E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5094965964E-03  1.1215851496E-02
  0.0000000000E+00  1.1215851496E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.5094965964E-03  1.1215851496E-02
  2.5094965964E-03  0.0000000000E+00  0.0000000000E+00
  1.1215851496E-02  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.5094965964E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5094965964E-03  1.1215851496E-02
  0.0000000000E+00  1.1215851496E-02  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.4250991704E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4250991704E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.3356828968E-04

 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  1.84441E-02  1.84441E-02  2.47961E-02  1.53103E-02  2.49840E-02  1.53103E-02  2.01868E-02
   dip-dip  1.35802E-02  1.35802E-02  1.35802E-02  1.36742E-02  1.37682E-02  1.36742E-02  1.36429E-02
   qua-qua  4.86387E-03  4.86387E-03  1.12159E-02  1.63606E-03  1.12159E-02  1.63606E-03  6.54391E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -5.62607E-02 -6.97697E-17 -1.80358E-01 -1.43250E-16
   dip-dip  0.00000E+00 -3.71408E-19  0.00000E+00 -3.04737E-19
   qua-qua -5.62607E-02 -6.93983E-17 -1.80358E-01 -1.42945E-16

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

 Energ =  -6.00000 eV

 Vmoy = -20.04588 eV, Vmftabs = -23.36937 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.499E-06  4.307E-08    4.975E-03 -4.759E-05    9.319E-04 -8.928E-06
  1  0    1  1      2.223E-03  3.642E-06   -5.684E-02 -9.239E-05   -6.437E-03 -1.032E-05
  2  0    1  1      2.814E-04 -1.826E-06   -1.176E-02  7.646E-05   -2.250E-03  1.466E-05
  3  0    1  1      6.704E-06 -9.315E-08   -3.701E-04  5.145E-06   -9.101E-05  1.266E-06

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2438952825E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2438952825E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2699904512E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  7.3354091663E-04  0.0000000000E+00  8.8581536181E-04
  0.0000000000E+00 -6.5413750017E-04  3.5279150230E-04
  8.8581536181E-04  3.5279150230E-04 -4.9348468736E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.9383920840E-04  3.5279150230E-04
  6.9383920840E-04  0.0000000000E+00 -8.8581536181E-04
  3.5279150230E-04 -8.8581536181E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  8.8581536181E-04  3.5279150230E-04  1.5931720925E-03
  3.5279150230E-04 -8.8581536181E-04  0.0000000000E+00
  1.5931720925E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.9383920840E-04  3.5279150230E-04
  6.9383920840E-04  0.0000000000E+00 -8.8581536181E-04
  3.5279150230E-04 -8.8581536181E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.5413750017E-04  0.0000000000E+00 -8.8581536181E-04
  0.0000000000E+00  7.3354091663E-04 -3.5279150230E-04
 -8.8581536181E-04 -3.5279150230E-04 -4.9348468736E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.5279150230E-04 -8.8581536181E-04  0.0000000000E+00
 -8.8581536181E-04 -3.5279150230E-04  1.5931720925E-03
  0.0000000000E+00  1.5931720925E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  8.8581536181E-04  3.5279150230E-04  1.5931720925E-03
  3.5279150230E-04 -8.8581536181E-04  0.0000000000E+00
  1.5931720925E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.5279150230E-04 -8.8581536181E-04  0.0000000000E+00
 -8.8581536181E-04 -3.5279150230E-04  1.5931720925E-03
  0.0000000000E+00  1.5931720925E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.9348468736E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9348468736E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0712290778E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3463371695E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3463371695E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3619942707E-02

 Crystal Tensor_qq(ke,je,1,1)
  4.4012454998E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.9248250010E-03  2.1167490138E-03
  0.0000000000E+00  2.1167490138E-03 -2.9609081241E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.1630352504E-03  2.1167490138E-03
  4.1630352504E-03  0.0000000000E+00  0.0000000000E+00
  2.1167490138E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.1167490138E-03  9.5590325550E-03
  2.1167490138E-03  0.0000000000E+00  0.0000000000E+00
  9.5590325550E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.1630352504E-03  2.1167490138E-03
  4.1630352504E-03  0.0000000000E+00  0.0000000000E+00
  2.1167490138E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.9248250010E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4012454998E-03 -2.1167490138E-03
  0.0000000000E+00 -2.1167490138E-03 -2.9609081241E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.1167490138E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1167490138E-03  9.5590325550E-03
  0.0000000000E+00  9.5590325550E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.1167490138E-03  9.5590325550E-03
  2.1167490138E-03  0.0000000000E+00  0.0000000000E+00
  9.5590325550E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.1167490138E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1167490138E-03  9.5590325550E-03
  0.0000000000E+00  9.5590325550E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.9609081241E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9609081241E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.4273744666E-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  1.76264E-02  1.76264E-02  2.30224E-02  1.49507E-02  2.31790E-02  1.49507E-02  1.91026E-02
   dip-dip  1.34634E-02  1.34634E-02  1.34634E-02  1.35417E-02  1.36199E-02  1.35417E-02  1.35156E-02
   qua-qua  4.16304E-03  4.16304E-03  9.55903E-03  1.40904E-03  9.55903E-03  1.40904E-03  5.58704E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.74354E-02 -5.88802E-17 -1.52066E-01 -1.20795E-16
   dip-dip  0.00000E+00 -3.09378E-19  0.00000E+00 -2.53842E-19
   qua-qua -4.74354E-02 -5.85708E-17 -1.52066E-01 -1.20542E-16

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

 Energ =  -5.80000 eV

 Vmoy = -20.04607 eV, Vmftabs = -23.36714 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.410E-06  4.124E-08    4.876E-03 -4.557E-05    9.134E-04 -8.549E-06
  1  0    1  1      2.240E-03  4.390E-06   -5.728E-02 -1.115E-04   -6.487E-03 -1.248E-05
  2  0    1  1      2.778E-04 -1.736E-06   -1.161E-02  7.270E-05   -2.221E-03  1.394E-05
  3  0    1  1      6.526E-06 -8.850E-08   -3.602E-04  4.889E-06   -8.859E-05  1.203E-06

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2091529193E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2091529193E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2258497711E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  5.2467173816E-04  0.0000000000E+00  5.9938452965E-04
  0.0000000000E+00 -4.5709057719E-04  2.3864999774E-04
  5.9938452965E-04  2.3864999774E-04 -3.7952964155E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.9088115767E-04  2.3864999774E-04
  4.9088115767E-04  0.0000000000E+00 -5.9938452965E-04
  2.3864999774E-04 -5.9938452965E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  5.9938452965E-04  2.3864999774E-04  1.1052516767E-03
  2.3864999774E-04 -5.9938452965E-04  0.0000000000E+00
  1.1052516767E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.9088115767E-04  2.3864999774E-04
  4.9088115767E-04  0.0000000000E+00 -5.9938452965E-04
  2.3864999774E-04 -5.9938452965E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.5709057719E-04  0.0000000000E+00 -5.9938452965E-04
  0.0000000000E+00  5.2467173816E-04 -2.3864999774E-04
 -5.9938452965E-04 -2.3864999774E-04 -3.7952964155E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.3864999774E-04 -5.9938452965E-04  0.0000000000E+00
 -5.9938452965E-04 -2.3864999774E-04  1.1052516767E-03
  0.0000000000E+00  1.1052516767E-03  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  5.9938452965E-04  2.3864999774E-04  1.1052516767E-03
  2.3864999774E-04 -5.9938452965E-04  0.0000000000E+00
  1.1052516767E-03  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.3864999774E-04 -5.9938452965E-04  0.0000000000E+00
 -5.9938452965E-04 -2.3864999774E-04  1.1052516767E-03
  0.0000000000E+00  1.1052516767E-03  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.7952964155E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.7952964155E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.5459422127E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3254917516E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3254917516E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3355098627E-02

 Crystal Tensor_qq(ke,je,1,1)
  3.1480304289E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.7425434632E-03  1.4318999865E-03
  0.0000000000E+00  1.4318999865E-03 -2.2771778493E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.9452869460E-03  1.4318999865E-03
  2.9452869460E-03  0.0000000000E+00  0.0000000000E+00
  1.4318999865E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.4318999865E-03  6.6315100599E-03
  1.4318999865E-03  0.0000000000E+00  0.0000000000E+00
  6.6315100599E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.9452869460E-03  1.4318999865E-03
  2.9452869460E-03  0.0000000000E+00  0.0000000000E+00
  1.4318999865E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.7425434632E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1480304289E-03 -1.4318999865E-03
  0.0000000000E+00 -1.4318999865E-03 -2.2771778493E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.4318999865E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4318999865E-03  6.6315100599E-03
  0.0000000000E+00  6.6315100599E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.4318999865E-03  6.6315100599E-03
  1.4318999865E-03  0.0000000000E+00  0.0000000000E+00
  6.6315100599E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.4318999865E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4318999865E-03  6.6315100599E-03
  0.0000000000E+00  6.6315100599E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.2771778493E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2771778493E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.1275653276E-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  1.62002E-02  1.62002E-02  1.98864E-02  1.43341E-02  1.99866E-02  1.43341E-02  1.71971E-02
   dip-dip  1.32549E-02  1.32549E-02  1.32549E-02  1.33050E-02  1.33551E-02  1.33050E-02  1.32883E-02
   qua-qua  2.94529E-03  2.94529E-03  6.63151E-03  1.02906E-03  6.63151E-03  1.02906E-03  3.90878E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.20978E-02 -3.98724E-17 -1.02898E-01 -8.17413E-17
   dip-dip  0.00000E+00 -1.97959E-19  0.00000E+00 -1.62424E-19
   qua-qua -3.20978E-02 -3.96745E-17 -1.02898E-01 -8.15789E-17

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

 Energ =  -5.60000 eV

 Vmoy = -20.04595 eV, Vmftabs = -23.36320 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.325E-06  3.953E-08    4.781E-03 -4.368E-05    8.957E-04 -8.194E-06
  1  0    1  1      2.259E-03  5.149E-06   -5.775E-02 -1.309E-04   -6.539E-03 -1.468E-05
  2  0    1  1      2.743E-04 -1.652E-06   -1.147E-02  6.916E-05   -2.193E-03  1.326E-05
  3  0    1  1      6.357E-06 -8.417E-08   -3.509E-04  4.649E-06   -8.629E-05  1.144E-06

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1793307835E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1793307835E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1874094268E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.7975038625E-04  0.0000000000E+00  4.0356033447E-04
  0.0000000000E+00 -3.2059492049E-04  1.6046276963E-04
  4.0356033447E-04  1.6046276963E-04 -3.0022581862E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.5017265337E-04  1.6046276963E-04
  3.5017265337E-04  0.0000000000E+00 -4.0356033447E-04
  1.6046276963E-04 -4.0356033447E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  4.0356033447E-04  1.6046276963E-04  7.6573134247E-04
  1.6046276963E-04 -4.0356033447E-04  0.0000000000E+00
  7.6573134247E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.5017265337E-04  1.6046276963E-04
  3.5017265337E-04  0.0000000000E+00 -4.0356033447E-04
  1.6046276963E-04 -4.0356033447E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.2059492049E-04  0.0000000000E+00 -4.0356033447E-04
  0.0000000000E+00  3.7975038625E-04 -1.6046276963E-04
 -4.0356033447E-04 -1.6046276963E-04 -3.0022581862E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.6046276963E-04 -4.0356033447E-04  0.0000000000E+00
 -4.0356033447E-04 -1.6046276963E-04  7.6573134247E-04
  0.0000000000E+00  7.6573134247E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  4.0356033447E-04  1.6046276963E-04  7.6573134247E-04
  1.6046276963E-04 -4.0356033447E-04  0.0000000000E+00
  7.6573134247E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.6046276963E-04 -4.0356033447E-04  0.0000000000E+00
 -4.0356033447E-04 -1.6046276963E-04  7.6573134247E-04
  0.0000000000E+00  7.6573134247E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.0022581862E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.0022581862E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.0994800591E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3075984701E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3075984701E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3124456561E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.2785023175E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9235695230E-03  9.6277661779E-04
  0.0000000000E+00  9.6277661779E-04 -1.8013549117E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.1010359202E-03  9.6277661779E-04
  2.1010359202E-03  0.0000000000E+00  0.0000000000E+00
  9.6277661779E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  9.6277661779E-04  4.5943880548E-03
  9.6277661779E-04  0.0000000000E+00  0.0000000000E+00
  4.5943880548E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.1010359202E-03  9.6277661779E-04
  2.1010359202E-03  0.0000000000E+00  0.0000000000E+00
  9.6277661779E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.9235695230E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2785023175E-03 -9.6277661779E-04
  0.0000000000E+00 -9.6277661779E-04 -1.8013549117E-04

 Crystal Tensor_qq(ke,je,3,2)
  9.6277661779E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.6277661779E-04  4.5943880548E-03
  0.0000000000E+00  4.5943880548E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  9.6277661779E-04  4.5943880548E-03
  9.6277661779E-04  0.0000000000E+00  0.0000000000E+00
  4.5943880548E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  9.6277661779E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.6277661779E-04  4.5943880548E-03
  0.0000000000E+00  4.5943880548E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.8013549117E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8013549117E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2596880354E-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  1.51770E-02  1.51770E-02  1.76704E-02  1.38664E-02  1.77188E-02  1.38664E-02  1.58346E-02
   dip-dip  1.30760E-02  1.30760E-02  1.30760E-02  1.31002E-02  1.31245E-02  1.31002E-02  1.30921E-02
   qua-qua  2.10104E-03  2.10104E-03  4.59439E-03  7.66186E-04  4.59439E-03  7.66186E-04  2.74242E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.16118E-02 -2.68137E-17 -6.92821E-02 -5.50066E-17
   dip-dip  0.00000E+00 -9.57834E-20  0.00000E+00 -7.85894E-20
   qua-qua -2.16118E-02 -2.67179E-17 -6.92821E-02 -5.49280E-17

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

 Energ =  -5.40000 eV

 Vmoy = -20.04561 eV, Vmftabs = -23.35930 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.243E-06  3.792E-08    4.691E-03 -4.191E-05    8.789E-04 -7.862E-06
  1  0    1  1      2.278E-03  5.924E-06   -5.824E-02 -1.507E-04   -6.595E-03 -1.692E-05
  2  0    1  1      2.710E-04 -1.572E-06   -1.133E-02  6.583E-05   -2.167E-03  1.262E-05
  3  0    1  1      6.196E-06 -8.013E-08   -3.420E-04  4.426E-06   -8.411E-05  1.089E-06

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1541935446E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1541935446E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1535903802E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  2.8430742883E-04  0.0000000000E+00  2.7848366259E-04
  0.0000000000E+00 -2.3143452939E-04  1.1049364639E-04
  2.7848366259E-04  1.1049364639E-04 -2.4210717401E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.5787097911E-04  1.1049364639E-04
  2.5787097911E-04  0.0000000000E+00 -2.7848366259E-04
  1.1049364639E-04 -2.7848366259E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.7848366259E-04  1.1049364639E-04  5.4564622604E-04
  1.1049364639E-04 -2.7848366259E-04  0.0000000000E+00
  5.4564622604E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.5787097911E-04  1.1049364639E-04
  2.5787097911E-04  0.0000000000E+00 -2.7848366259E-04
  1.1049364639E-04 -2.7848366259E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.3143452939E-04  0.0000000000E+00 -2.7848366259E-04
  0.0000000000E+00  2.8430742883E-04 -1.1049364639E-04
 -2.7848366259E-04 -1.1049364639E-04 -2.4210717401E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.1049364639E-04 -2.7848366259E-04  0.0000000000E+00
 -2.7848366259E-04 -1.1049364639E-04  5.4564622604E-04
  0.0000000000E+00  5.4564622604E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.7848366259E-04  1.1049364639E-04  5.4564622604E-04
  1.1049364639E-04 -2.7848366259E-04  0.0000000000E+00
  5.4564622604E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.1049364639E-04 -2.7848366259E-04  0.0000000000E+00
 -2.7848366259E-04 -1.1049364639E-04  5.4564622604E-04
  0.0000000000E+00  5.4564622604E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.4210717401E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4210717401E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0848576791E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2925161268E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2925161268E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2921542281E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.7058445730E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3886071764E-03  6.6296187832E-04
  0.0000000000E+00  6.6296187832E-04 -1.4526430441E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.5472258747E-03  6.6296187832E-04
  1.5472258747E-03  0.0000000000E+00  0.0000000000E+00
  6.6296187832E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  6.6296187832E-04  3.2738773562E-03
  6.6296187832E-04  0.0000000000E+00  0.0000000000E+00
  3.2738773562E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.5472258747E-03  6.6296187832E-04
  1.5472258747E-03  0.0000000000E+00  0.0000000000E+00
  6.6296187832E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.3886071764E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7058445730E-03 -6.6296187832E-04
  0.0000000000E+00 -6.6296187832E-04 -1.4526430441E-04

 Crystal Tensor_qq(ke,je,3,2)
  6.6296187832E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.6296187832E-04  3.2738773562E-03
  0.0000000000E+00  3.2738773562E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  6.6296187832E-04  3.2738773562E-03
  6.6296187832E-04  0.0000000000E+00  0.0000000000E+00
  3.2738773562E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  6.6296187832E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.6296187832E-04  3.2738773562E-03
  0.0000000000E+00  3.2738773562E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.4526430441E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4526430441E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6509146075E-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  1.44724E-02  1.44724E-02  1.61990E-02  1.35137E-02  1.61954E-02  1.35137E-02  1.49067E-02
   dip-dip  1.29252E-02  1.29252E-02  1.29252E-02  1.29234E-02  1.29215E-02  1.29234E-02  1.29240E-02
   qua-qua  1.54723E-03  1.54723E-03  3.27388E-03  5.90366E-04  3.27388E-03  5.90366E-04  1.98272E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.49139E-02 -1.84274E-17 -4.78105E-02 -3.78967E-17
   dip-dip  0.00000E+00  7.15153E-21  0.00000E+00  5.86776E-21
   qua-qua -1.49139E-02 -1.84345E-17 -4.78105E-02 -3.79025E-17

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

 Energ =  -5.20000 eV

 Vmoy = -20.04503 eV, Vmftabs = -23.35542 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.166E-06  3.642E-08    4.605E-03 -4.024E-05    8.628E-04 -7.550E-06
  1  0    1  1      2.299E-03  6.717E-06   -5.877E-02 -1.710E-04   -6.655E-03 -1.921E-05
  2  0    1  1      2.679E-04 -1.497E-06   -1.120E-02  6.268E-05   -2.142E-03  1.202E-05
  3  0    1  1      6.043E-06 -7.636E-08   -3.335E-04  4.218E-06   -8.202E-05  1.038E-06

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1337082235E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1337082235E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1236317167E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  2.2048664043E-04  0.0000000000E+00  1.9809307423E-04
  0.0000000000E+00 -1.7245768626E-04  7.8374113060E-05
  1.9809307423E-04  7.8374113060E-05 -1.9773258791E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.9647216334E-04  7.8374113060E-05
  1.9647216334E-04  0.0000000000E+00 -1.9809307423E-04
  7.8374113060E-05 -1.9809307423E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.9809307423E-04  7.8374113060E-05  4.0226406413E-04
  7.8374113060E-05 -1.9809307423E-04  0.0000000000E+00
  4.0226406413E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.9647216334E-04  7.8374113060E-05
  1.9647216334E-04  0.0000000000E+00 -1.9809307423E-04
  7.8374113060E-05 -1.9809307423E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.7245768626E-04  0.0000000000E+00 -1.9809307423E-04
  0.0000000000E+00  2.2048664043E-04 -7.8374113060E-05
 -1.9809307423E-04 -7.8374113060E-05 -1.9773258791E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  7.8374113060E-05 -1.9809307423E-04  0.0000000000E+00
 -1.9809307423E-04 -7.8374113060E-05  4.0226406413E-04
  0.0000000000E+00  4.0226406413E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.9809307423E-04  7.8374113060E-05  4.0226406413E-04
  7.8374113060E-05 -1.9809307423E-04  0.0000000000E+00
  4.0226406413E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.8374113060E-05 -1.9809307423E-04  0.0000000000E+00
 -1.9809307423E-04 -7.8374113060E-05  4.0226406413E-04
  0.0000000000E+00  4.0226406413E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.9773258791E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9773258791E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.3460952933E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2802249341E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2802249341E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2741790300E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.3229198426E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0347461175E-03  4.7024467836E-04
  0.0000000000E+00  4.7024467836E-04 -1.1863955275E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.1788329801E-03  4.7024467836E-04
  1.1788329801E-03  0.0000000000E+00  0.0000000000E+00
  4.7024467836E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.7024467836E-04  2.4135843848E-03
  4.7024467836E-04  0.0000000000E+00  0.0000000000E+00
  2.4135843848E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.1788329801E-03  4.7024467836E-04
  1.1788329801E-03  0.0000000000E+00  0.0000000000E+00
  4.7024467836E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.0347461175E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3229198426E-03 -4.7024467836E-04
  0.0000000000E+00 -4.7024467836E-04 -1.1863955275E-04

 Crystal Tensor_qq(ke,je,3,2)
  4.7024467836E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7024467836E-04  2.4135843848E-03
  0.0000000000E+00  2.4135843848E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.7024467836E-04  2.4135843848E-03
  4.7024467836E-04  0.0000000000E+00  0.0000000000E+00
  2.4135843848E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.7024467836E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.7024467836E-04  2.4135843848E-03
  0.0000000000E+00  2.4135843848E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.1863955275E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1863955275E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2076571760E-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  1.39811E-02  1.39811E-02  1.52158E-02  1.32423E-02  1.51554E-02  1.32423E-02  1.42659E-02
   dip-dip  1.28022E-02  1.28022E-02  1.28022E-02  1.27720E-02  1.27418E-02  1.27720E-02  1.27821E-02
   qua-qua  1.17883E-03  1.17883E-03  2.41358E-03  4.70241E-04  2.41358E-03  4.70241E-04  1.48378E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.06090E-02 -1.29917E-17 -3.40098E-02 -2.68617E-17
   dip-dip  0.00000E+00  1.19477E-19  0.00000E+00  9.80298E-20
   qua-qua -1.06090E-02 -1.31112E-17 -3.40098E-02 -2.69597E-17

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

 Energ =  -5.00000 eV

 Vmoy = -20.04424 eV, Vmftabs = -23.35157 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.091E-06  3.500E-08    4.523E-03 -3.868E-05    8.473E-04 -7.257E-06
  1  0    1  1      2.321E-03  7.531E-06   -5.933E-02 -1.918E-04   -6.718E-03 -2.157E-05
  2  0    1  1      2.649E-04 -1.426E-06   -1.107E-02  5.971E-05   -2.118E-03  1.145E-05
  3  0    1  1      5.896E-06 -7.282E-08   -3.254E-04  4.023E-06   -8.004E-05  9.902E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1179174603E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1179174603E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0969813510E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.7639543560E-04  0.0000000000E+00  1.4493193662E-04
  0.0000000000E+00 -1.3219450495E-04  5.7134254550E-05
  1.4493193662E-04  5.7134254550E-05 -1.6270722997E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.5429497028E-04  5.7134254550E-05
  1.5429497028E-04  0.0000000000E+00 -1.4493193662E-04
  5.7134254550E-05 -1.4493193662E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.4493193662E-04  5.7134254550E-05  3.0617340253E-04
  5.7134254550E-05 -1.4493193662E-04  0.0000000000E+00
  3.0617340253E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.5429497028E-04  5.7134254550E-05
  1.5429497028E-04  0.0000000000E+00 -1.4493193662E-04
  5.7134254550E-05 -1.4493193662E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.3219450495E-04  0.0000000000E+00 -1.4493193662E-04
  0.0000000000E+00  1.7639543560E-04 -5.7134254550E-05
 -1.4493193662E-04 -5.7134254550E-05 -1.6270722997E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  5.7134254550E-05 -1.4493193662E-04  0.0000000000E+00
 -1.4493193662E-04 -5.7134254550E-05  3.0617340253E-04
  0.0000000000E+00  3.0617340253E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.4493193662E-04  5.7134254550E-05  3.0617340253E-04
  5.7134254550E-05 -1.4493193662E-04  0.0000000000E+00
  3.0617340253E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  5.7134254550E-05 -1.4493193662E-04  0.0000000000E+00
 -1.4493193662E-04 -5.7134254550E-05  3.0617340253E-04
  0.0000000000E+00  3.0617340253E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.6270722997E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6270722997E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.7930506097E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2707504762E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2707504762E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2581888106E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.0583726136E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.9316702969E-04  3.4280552730E-04
  0.0000000000E+00  3.4280552730E-04 -9.7624337980E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  9.2576982166E-04  3.4280552730E-04
  9.2576982166E-04  0.0000000000E+00  0.0000000000E+00
  3.4280552730E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.4280552730E-04  1.8370404152E-03
  3.4280552730E-04  0.0000000000E+00  0.0000000000E+00
  1.8370404152E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  9.2576982166E-04  3.4280552730E-04
  9.2576982166E-04  0.0000000000E+00  0.0000000000E+00
  3.4280552730E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -7.9316702969E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0583726136E-03 -3.4280552730E-04
  0.0000000000E+00 -3.4280552730E-04 -9.7624337980E-05

 Crystal Tensor_qq(ke,je,3,2)
  3.4280552730E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4280552730E-04  1.8370404152E-03
  0.0000000000E+00  1.8370404152E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.4280552730E-04  1.8370404152E-03
  3.4280552730E-04  0.0000000000E+00  0.0000000000E+00
  1.8370404152E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.4280552730E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4280552730E-04  1.8370404152E-03
  0.0000000000E+00  1.8370404152E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -9.7624337980E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.7624337980E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8758303658E-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  1.36333E-02  1.36333E-02  1.45445E-02  1.30300E-02  1.44189E-02  1.30300E-02  1.38118E-02
   dip-dip  1.27075E-02  1.27075E-02  1.27075E-02  1.26447E-02  1.25819E-02  1.26447E-02  1.26656E-02
   qua-qua  9.25770E-04  9.25770E-04  1.83704E-03  3.85301E-04  1.83704E-03  3.85301E-04  1.14615E-03

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.76210E-03 -9.34482E-18 -2.48834E-02 -1.95201E-17
   dip-dip  0.00000E+00  2.48246E-19  0.00000E+00  2.03683E-19
   qua-qua -7.76210E-03 -9.59306E-18 -2.48834E-02 -1.97238E-17

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

 Energ =  -4.80000 eV

 Vmoy = -20.04317 eV, Vmftabs = -23.34775 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -4.020E-06  3.367E-08    4.444E-03 -3.721E-05    8.326E-04 -6.982E-06
  1  0    1  1      2.344E-03  8.367E-06   -5.992E-02 -2.131E-04   -6.785E-03 -2.399E-05
  2  0    1  1      2.621E-04 -1.359E-06   -1.096E-02  5.691E-05   -2.096E-03  1.091E-05
  3  0    1  1      5.757E-06 -6.952E-08   -3.177E-04  3.840E-06   -7.814E-05  9.452E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1068813044E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1068813044E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0731959052E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4488771222E-04  0.0000000000E+00  1.0861355408E-04
  0.0000000000E+00 -1.0376664462E-04  4.2622544094E-05
  1.0861355408E-04  4.2622544094E-05 -1.3428806317E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.2432717842E-04  4.2622544094E-05
  1.2432717842E-04  0.0000000000E+00 -1.0861355408E-04
  4.2622544094E-05 -1.0861355408E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.0861355408E-04  4.2622544094E-05  2.3961448822E-04
  4.2622544094E-05 -1.0861355408E-04  0.0000000000E+00
  2.3961448822E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.2432717842E-04  4.2622544094E-05
  1.2432717842E-04  0.0000000000E+00 -1.0861355408E-04
  4.2622544094E-05 -1.0861355408E-04  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.0376664462E-04  0.0000000000E+00 -1.0861355408E-04
  0.0000000000E+00  1.4488771222E-04 -4.2622544094E-05
 -1.0861355408E-04 -4.2622544094E-05 -1.3428806317E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  4.2622544094E-05 -1.0861355408E-04  0.0000000000E+00
 -1.0861355408E-04 -4.2622544094E-05  2.3961448822E-04
  0.0000000000E+00  2.3961448822E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.0861355408E-04  4.2622544094E-05  2.3961448822E-04
  4.2622544094E-05 -1.0861355408E-04  0.0000000000E+00
  2.3961448822E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.2622544094E-05 -1.0861355408E-04  0.0000000000E+00
 -1.0861355408E-04 -4.2622544094E-05  2.3961448822E-04
  0.0000000000E+00  2.3961448822E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.3428806317E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3428806317E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.3707174936E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2641287827E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2641287827E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2439175431E-02

 Crystal Tensor_qq(ke,je,1,1)
  8.6932627334E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.2259986773E-04  2.5573526457E-04
  0.0000000000E+00  2.5573526457E-04 -8.0572837900E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  7.4596307053E-04  2.5573526457E-04
  7.4596307053E-04  0.0000000000E+00  0.0000000000E+00
  2.5573526457E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.5573526457E-04  1.4376869293E-03
  2.5573526457E-04  0.0000000000E+00  0.0000000000E+00
  1.4376869293E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  7.4596307053E-04  2.5573526457E-04
  7.4596307053E-04  0.0000000000E+00  0.0000000000E+00
  2.5573526457E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.2259986773E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.6932627334E-04 -2.5573526457E-04
  0.0000000000E+00 -2.5573526457E-04 -8.0572837900E-05

 Crystal Tensor_qq(ke,je,3,2)
  2.5573526457E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5573526457E-04  1.4376869293E-03
  0.0000000000E+00  1.4376869293E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.5573526457E-04  1.4376869293E-03
  2.5573526457E-04  0.0000000000E+00  0.0000000000E+00
  1.4376869293E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.5573526457E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.5573526457E-04  1.4376869293E-03
  0.0000000000E+00  1.4376869293E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -8.0572837900E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.0572837900E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6224304962E-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  1.33873E-02  1.33873E-02  1.40790E-02  1.28634E-02  1.38769E-02  1.28634E-02  1.34838E-02
   dip-dip  1.26413E-02  1.26413E-02  1.26413E-02  1.25402E-02  1.24392E-02  1.25402E-02  1.25739E-02
   qua-qua  7.45963E-04  7.45963E-04  1.43769E-03  3.23179E-04  1.43769E-03  3.23179E-04  9.09910E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -5.81715E-03 -6.79171E-18 -1.86484E-02 -1.44530E-17
   dip-dip  0.00000E+00  3.99428E-19  0.00000E+00  3.27727E-19
   qua-qua -5.81715E-03 -7.19114E-18 -1.86484E-02 -1.47807E-17

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

 Energ =  -4.60000 eV

 Vmoy = -20.04191 eV, Vmftabs = -23.34396 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.952E-06  3.242E-08    4.369E-03 -3.583E-05    8.184E-04 -6.722E-06
  1  0    1  1      2.368E-03  9.230E-06   -6.054E-02 -2.352E-04   -6.855E-03 -2.648E-05
  2  0    1  1      2.594E-04 -1.295E-06   -1.084E-02  5.425E-05   -2.074E-03  1.040E-05
  3  0    1  1      5.624E-06 -6.642E-08   -3.104E-04  3.669E-06   -7.633E-05  9.031E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1007289328E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1007289328E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0519344291E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2167909941E-04  0.0000000000E+00  8.3024553209E-05
  0.0000000000E+00 -8.3066964993E-05  3.2394846002E-05
  8.3024553209E-05  3.2394846002E-05 -1.1067965866E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.0237303220E-04  3.2394846002E-05
  1.0237303220E-04  0.0000000000E+00 -8.3024553209E-05
  3.2394846002E-05 -8.3024553209E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  8.3024553209E-05  3.2394846002E-05  1.9203179378E-04
  3.2394846002E-05 -8.3024553209E-05  0.0000000000E+00
  1.9203179378E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.0237303220E-04  3.2394846002E-05
  1.0237303220E-04  0.0000000000E+00 -8.3024553209E-05
  3.2394846002E-05 -8.3024553209E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.3066964993E-05  0.0000000000E+00 -8.3024553209E-05
  0.0000000000E+00  1.2167909941E-04 -3.2394846002E-05
 -8.3024553209E-05 -3.2394846002E-05 -1.1067965866E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  3.2394846002E-05 -8.3024553209E-05  0.0000000000E+00
 -8.3024553209E-05 -3.2394846002E-05  1.9203179378E-04
  0.0000000000E+00  1.9203179378E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  8.3024553209E-05  3.2394846002E-05  1.9203179378E-04
  3.2394846002E-05 -8.3024553209E-05  0.0000000000E+00
  1.9203179378E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.2394846002E-05 -8.3024553209E-05  0.0000000000E+00
 -8.3024553209E-05 -3.2394846002E-05  1.9203179378E-04
  0.0000000000E+00  1.9203179378E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.1067965866E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1067965866E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0440560543E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2604373597E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2604373597E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2311606574E-02

 Crystal Tensor_qq(ke,je,1,1)
  7.3007459646E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.9840178996E-04  1.9436907601E-04
  0.0000000000E+00  1.9436907601E-04 -6.6407795199E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  6.1423819321E-04  1.9436907601E-04
  6.1423819321E-04  0.0000000000E+00  0.0000000000E+00
  1.9436907601E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.9436907601E-04  1.1521907627E-03
  1.9436907601E-04  0.0000000000E+00  0.0000000000E+00
  1.1521907627E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  6.1423819321E-04  1.9436907601E-04
  6.1423819321E-04  0.0000000000E+00  0.0000000000E+00
  1.9436907601E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.9840178996E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3007459646E-04 -1.9436907601E-04
  0.0000000000E+00 -1.9436907601E-04 -6.6407795199E-05

 Crystal Tensor_qq(ke,je,3,2)
  1.9436907601E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9436907601E-04  1.1521907627E-03
  0.0000000000E+00  1.1521907627E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.9436907601E-04  1.1521907627E-03
  1.9436907601E-04  0.0000000000E+00  0.0000000000E+00
  1.1521907627E-03  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.9436907601E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9436907601E-04  1.1521907627E-03
  0.0000000000E+00  1.1521907627E-03  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -6.6407795199E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.6407795199E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4264336326E-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  1.32186E-02  1.32186E-02  1.37566E-02  1.27344E-02  1.34638E-02  1.27344E-02  1.32461E-02
   dip-dip  1.26044E-02  1.26044E-02  1.26044E-02  1.24580E-02  1.23116E-02  1.24580E-02  1.25068E-02
   qua-qua  6.14238E-04  6.14238E-04  1.15219E-03  2.76383E-04  1.15219E-03  2.76383E-04  7.39325E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.44677E-03 -4.92108E-18 -1.42553E-02 -1.08234E-17
   dip-dip  0.00000E+00  5.78601E-19  0.00000E+00  4.74737E-19
   qua-qua -4.44677E-03 -5.49968E-18 -1.42553E-02 -1.12981E-17

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

 Energ =  -4.40000 eV

 Vmoy = -20.04053 eV, Vmftabs = -23.34019 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.886E-06  3.124E-08    4.296E-03 -3.452E-05    8.049E-04 -6.477E-06
  1  0    1  1      2.394E-03  1.013E-05   -6.120E-02 -2.580E-04   -6.930E-03 -2.907E-05
  2  0    1  1      2.569E-04 -1.235E-06   -1.074E-02  5.173E-05   -2.054E-03  9.922E-06
  3  0    1  1      5.496E-06 -6.350E-08   -3.033E-04  3.508E-06   -7.460E-05  8.635E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.0996543609E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0996543609E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0329184521E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0413471460E-04  0.0000000000E+00  6.4493023911E-05
  0.0000000000E+00 -6.7582233203E-05  2.4983203340E-05
  6.4493023911E-05  2.4983203340E-05 -9.0660137169E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.5858473900E-05  2.4983203340E-05
  8.5858473900E-05  0.0000000000E+00 -6.4493023911E-05
  2.4983203340E-05 -6.4493023911E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  6.4493023911E-05  2.4983203340E-05  1.5703704124E-04
  2.4983203340E-05 -6.4493023911E-05  0.0000000000E+00
  1.5703704124E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.5858473900E-05  2.4983203340E-05
  8.5858473900E-05  0.0000000000E+00 -6.4493023911E-05
  2.4983203340E-05 -6.4493023911E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -6.7582233203E-05  0.0000000000E+00 -6.4493023911E-05
  0.0000000000E+00  1.0413471460E-04 -2.4983203340E-05
 -6.4493023911E-05 -2.4983203340E-05 -9.0660137169E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  2.4983203340E-05 -6.4493023911E-05  0.0000000000E+00
 -6.4493023911E-05 -2.4983203340E-05  1.5703704124E-04
  0.0000000000E+00  1.5703704124E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  6.4493023911E-05  2.4983203340E-05  1.5703704124E-04
  2.4983203340E-05 -6.4493023911E-05  0.0000000000E+00
  1.5703704124E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.4983203340E-05 -6.4493023911E-05  0.0000000000E+00
 -6.4493023911E-05 -2.4983203340E-05  1.5703704124E-04
  0.0000000000E+00  1.5703704124E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -9.0660137169E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.0660137169E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7899366101E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2597926165E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2597926165E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2197510713E-02

 Crystal Tensor_qq(ke,je,1,1)
  6.2480828758E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.0549339922E-04  1.4989922004E-04
  0.0000000000E+00  1.4989922004E-04 -5.4396082301E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.1515084340E-04  1.4989922004E-04
  5.1515084340E-04  0.0000000000E+00  0.0000000000E+00
  1.4989922004E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.4989922004E-04  9.4222224742E-04
  1.4989922004E-04  0.0000000000E+00  0.0000000000E+00
  9.4222224742E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.1515084340E-04  1.4989922004E-04
  5.1515084340E-04  0.0000000000E+00  0.0000000000E+00
  1.4989922004E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.0549339922E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2480828758E-04 -1.4989922004E-04
  0.0000000000E+00 -1.4989922004E-04 -5.4396082301E-05

 Crystal Tensor_qq(ke,je,3,2)
  1.4989922004E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4989922004E-04  9.4222224742E-04
  0.0000000000E+00  9.4222224742E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.4989922004E-04  9.4222224742E-04
  1.4989922004E-04  0.0000000000E+00  0.0000000000E+00
  9.4222224742E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.4989922004E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4989922004E-04  9.4222224742E-04
  0.0000000000E+00  9.4222224742E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -5.4396082301E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.4396082301E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2739619661E-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  1.31131E-02  1.31131E-02  1.35401E-02  1.26380E-02  1.31397E-02  1.26380E-02  1.30771E-02
   dip-dip  1.25979E-02  1.25979E-02  1.25979E-02  1.23977E-02  1.21975E-02  1.23977E-02  1.24645E-02
   qua-qua  5.15151E-04  5.15151E-04  9.42222E-04  2.40249E-04  9.42222E-04  2.40249E-04  6.12672E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.45431E-03 -3.48365E-18 -1.10737E-02 -8.12665E-18
   dip-dip  0.00000E+00  7.91369E-19  0.00000E+00  6.49311E-19
   qua-qua -3.45431E-03 -4.27502E-18 -1.10737E-02 -8.77596E-18

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

 Energ =  -4.20000 eV

 Vmoy = -20.03898 eV, Vmftabs = -23.33644 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.823E-06  3.012E-08    4.227E-03 -3.328E-05    7.918E-04 -6.245E-06
  1  0    1  1      2.421E-03  1.106E-05   -6.190E-02 -2.818E-04   -7.009E-03 -3.175E-05
  2  0    1  1      2.544E-04 -1.178E-06   -1.063E-02  4.934E-05   -2.034E-03  9.465E-06
  3  0    1  1      5.374E-06 -6.077E-08   -2.966E-04  3.356E-06   -7.295E-05  8.263E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1039493080E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1039493080E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0159381572E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  9.0581576332E-05  0.0000000000E+00  5.0747130289E-05
  0.0000000000E+00 -5.5725247124E-05  1.9479517652E-05
  5.0747130289E-05  1.9479517652E-05 -7.3369394648E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.3153411728E-05  1.9479517652E-05
  7.3153411728E-05  0.0000000000E+00 -5.0747130289E-05
  1.9479517652E-05 -5.0747130289E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  5.0747130289E-05  1.9479517652E-05  1.3065224269E-04
  1.9479517652E-05 -5.0747130289E-05  0.0000000000E+00
  1.3065224269E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.3153411728E-05  1.9479517652E-05
  7.3153411728E-05  0.0000000000E+00 -5.0747130289E-05
  1.9479517652E-05 -5.0747130289E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -5.5725247124E-05  0.0000000000E+00 -5.0747130289E-05
  0.0000000000E+00  9.0581576332E-05 -1.9479517652E-05
 -5.0747130289E-05 -1.9479517652E-05 -7.3369394648E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  1.9479517652E-05 -5.0747130289E-05  0.0000000000E+00
 -5.0747130289E-05 -1.9479517652E-05  1.3065224269E-04
  0.0000000000E+00  1.3065224269E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  5.0747130289E-05  1.9479517652E-05  1.3065224269E-04
  1.9479517652E-05 -5.0747130289E-05  0.0000000000E+00
  1.3065224269E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.9479517652E-05 -5.0747130289E-05  0.0000000000E+00
 -5.0747130289E-05 -1.9479517652E-05  1.3065224269E-04
  0.0000000000E+00  1.3065224269E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -7.3369394648E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3369394648E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5926818467E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2623695848E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2623695848E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2095628943E-02

 Crystal Tensor_qq(ke,je,1,1)
  5.4348945799E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.3435148274E-04  1.1687710591E-04
  0.0000000000E+00  1.1687710591E-04 -4.4021636789E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.3892047037E-04  1.1687710591E-04
  4.3892047037E-04  0.0000000000E+00  0.0000000000E+00
  1.1687710591E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.1687710591E-04  7.8391345611E-04
  1.1687710591E-04  0.0000000000E+00  0.0000000000E+00
  7.8391345611E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.3892047037E-04  1.1687710591E-04
  4.3892047037E-04  0.0000000000E+00  0.0000000000E+00
  1.1687710591E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.3435148274E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4348945799E-04 -1.1687710591E-04
  0.0000000000E+00 -1.1687710591E-04 -4.4021636789E-05

 Crystal Tensor_qq(ke,je,3,2)
  1.1687710591E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1687710591E-04  7.8391345611E-04
  0.0000000000E+00  7.8391345611E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.1687710591E-04  7.8391345611E-04
  1.1687710591E-04  0.0000000000E+00  0.0000000000E+00
  7.8391345611E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.1687710591E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1687710591E-04  7.8391345611E-04
  0.0000000000E+00  7.8391345611E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -4.4021636789E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4021636789E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1556091080E-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  1.30626E-02  1.30626E-02  1.34076E-02  1.25714E-02  1.28795E-02  1.25714E-02  1.29640E-02
   dip-dip  1.26237E-02  1.26237E-02  1.26237E-02  1.23597E-02  1.20956E-02  1.23597E-02  1.24477E-02
   qua-qua  4.38920E-04  4.38920E-04  7.83913E-04  2.11773E-04  7.83913E-04  2.11773E-04  5.16345E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.71814E-03 -2.32280E-18 -8.71370E-03 -6.04868E-18
   dip-dip  0.00000E+00  1.04368E-18  0.00000E+00  8.56332E-19
   qua-qua -2.71814E-03 -3.36648E-18 -8.71370E-03 -6.90501E-18

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

 Energ =  -4.00000 eV

 Vmoy = -20.03732 eV, Vmftabs = -23.33272 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.762E-06  2.906E-08    4.160E-03 -3.211E-05    7.792E-04 -6.025E-06
  1  0    1  1      2.451E-03  1.202E-05   -6.265E-02 -3.066E-04   -7.093E-03 -3.456E-05
  2  0    1  1      2.521E-04 -1.124E-06   -1.054E-02  4.707E-05   -2.015E-03  9.030E-06
  3  0    1  1      5.258E-06 -5.819E-08   -2.902E-04  3.214E-06   -7.137E-05  7.913E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1138998530E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1138998530E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0007181861E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  7.9915137642E-05  0.0000000000E+00  4.0328682621E-05
  0.0000000000E+00 -4.6454651618E-05  1.5300982834E-05
  4.0328682621E-05  1.5300982834E-05 -5.8178406490E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.3184894630E-05  1.5300982834E-05
  6.3184894630E-05  0.0000000000E+00 -4.0328682621E-05
  1.5300982834E-05 -4.0328682621E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  4.0328682621E-05  1.5300982834E-05  1.1030838119E-04
  1.5300982834E-05 -4.0328682621E-05  0.0000000000E+00
  1.1030838119E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.3184894630E-05  1.5300982834E-05
  6.3184894630E-05  0.0000000000E+00 -4.0328682621E-05
  1.5300982834E-05 -4.0328682621E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.6454651618E-05  0.0000000000E+00 -4.0328682621E-05
  0.0000000000E+00  7.9915137642E-05 -1.5300982834E-05
 -4.0328682621E-05 -1.5300982834E-05 -5.8178406490E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  1.5300982834E-05 -4.0328682621E-05  0.0000000000E+00
 -4.0328682621E-05 -1.5300982834E-05  1.1030838119E-04
  0.0000000000E+00  1.1030838119E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  4.0328682621E-05  1.5300982834E-05  1.1030838119E-04
  1.5300982834E-05 -4.0328682621E-05  0.0000000000E+00
  1.1030838119E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.5300982834E-05 -4.0328682621E-05  0.0000000000E+00
 -4.0328682621E-05 -1.5300982834E-05  1.1030838119E-04
  0.0000000000E+00  1.1030838119E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.8178406490E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.8178406490E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4413550281E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2683399118E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2683399118E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2004309117E-02

 Crystal Tensor_qq(ke,je,1,1)
  4.7949082585E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.7872790971E-04  9.1805897007E-05
  0.0000000000E+00  9.1805897007E-05 -3.4907043894E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.7910936778E-04  9.1805897007E-05
  3.7910936778E-04  0.0000000000E+00  0.0000000000E+00
  9.1805897007E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  9.1805897007E-05  6.6185028715E-04
  9.1805897007E-05  0.0000000000E+00  0.0000000000E+00
  6.6185028715E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.7910936778E-04  9.1805897007E-05
  3.7910936778E-04  0.0000000000E+00  0.0000000000E+00
  9.1805897007E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.7872790971E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7949082585E-04 -9.1805897007E-05
  0.0000000000E+00 -9.1805897007E-05 -3.4907043894E-05

 Crystal Tensor_qq(ke,je,3,2)
  9.1805897007E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.1805897007E-05  6.6185028715E-04
  0.0000000000E+00  6.6185028715E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  9.1805897007E-05  6.6185028715E-04
  9.1805897007E-05  0.0000000000E+00  0.0000000000E+00
  6.6185028715E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  9.1805897007E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.1805897007E-05  6.6185028715E-04
  0.0000000000E+00  6.6185028715E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.4907043894E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4907043894E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0648130169E-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  1.30625E-02  1.30625E-02  1.33452E-02  1.25328E-02  1.26662E-02  1.25328E-02  1.28985E-02
   dip-dip  1.26834E-02  1.26834E-02  1.26834E-02  1.23439E-02  1.20043E-02  1.23439E-02  1.24570E-02
   qua-qua  3.79109E-04  3.79109E-04  6.61850E-04  1.88947E-04  6.61850E-04  1.88947E-04  4.41496E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.16016E-03 -1.33522E-18 -6.92495E-03 -4.38546E-18
   dip-dip  0.00000E+00  1.34220E-18  0.00000E+00  1.10126E-18
   qua-qua -2.16016E-03 -2.67742E-18 -6.92495E-03 -5.48673E-18

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

 Energ =  -3.80000 eV

 Vmoy = -20.03564 eV, Vmftabs = -23.32902 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.704E-06  2.805E-08    4.095E-03 -3.099E-05    7.671E-04 -5.816E-06
  1  0    1  1      2.482E-03  1.304E-05   -6.345E-02 -3.326E-04   -7.184E-03 -3.750E-05
  2  0    1  1      2.499E-04 -1.072E-06   -1.044E-02  4.491E-05   -1.997E-03  8.617E-06
  3  0    1  1      5.146E-06 -5.576E-08   -2.840E-04  3.080E-06   -6.985E-05  7.583E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1299397066E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1299397066E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9870482406E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  7.1392424455E-05  0.0000000000E+00  3.2282128286E-05
  0.0000000000E+00 -3.9073965830E-05  1.2065757634E-05
  3.2282128286E-05  1.2065757634E-05 -4.4616550570E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.5233195142E-05  1.2065757634E-05
  5.5233195142E-05  0.0000000000E+00 -3.2282128286E-05
  1.2065757634E-05 -3.2282128286E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  3.2282128286E-05  1.2065757634E-05  9.4312064027E-05
  1.2065757634E-05 -3.2282128286E-05  0.0000000000E+00
  9.4312064027E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.5233195142E-05  1.2065757634E-05
  5.5233195142E-05  0.0000000000E+00 -3.2282128286E-05
  1.2065757634E-05 -3.2282128286E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.9073965830E-05  0.0000000000E+00 -3.2282128286E-05
  0.0000000000E+00  7.1392424455E-05 -1.2065757634E-05
 -3.2282128286E-05 -1.2065757634E-05 -4.4616550570E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  1.2065757634E-05 -3.2282128286E-05  0.0000000000E+00
 -3.2282128286E-05 -1.2065757634E-05  9.4312064027E-05
  0.0000000000E+00  9.4312064027E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  3.2282128286E-05  1.2065757634E-05  9.4312064027E-05
  1.2065757634E-05 -3.2282128286E-05  0.0000000000E+00
  9.4312064027E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.2065757634E-05 -3.2282128286E-05  0.0000000000E+00
 -3.2282128286E-05 -1.2065757634E-05  9.4312064027E-05
  0.0000000000E+00  9.4312064027E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -4.4616550570E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4616550570E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3283950140E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2779638239E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2779638239E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1922289443E-02

 Crystal Tensor_qq(ke,je,1,1)
  4.2835454673E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3444379498E-04  7.2394545803E-05
  0.0000000000E+00  7.2394545803E-05 -2.6769930342E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.3139917085E-04  7.2394545803E-05
  3.3139917085E-04  0.0000000000E+00  0.0000000000E+00
  7.2394545803E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  7.2394545803E-05  5.6587238416E-04
  7.2394545803E-05  0.0000000000E+00  0.0000000000E+00
  5.6587238416E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.3139917085E-04  7.2394545803E-05
  3.3139917085E-04  0.0000000000E+00  0.0000000000E+00
  7.2394545803E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.3444379498E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2835454673E-04 -7.2394545803E-05
  0.0000000000E+00 -7.2394545803E-05 -2.6769930342E-05

 Crystal Tensor_qq(ke,je,3,2)
  7.2394545803E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.2394545803E-05  5.6587238416E-04
  0.0000000000E+00  5.6587238416E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  7.2394545803E-05  5.6587238416E-04
  7.2394545803E-05  0.0000000000E+00  0.0000000000E+00
  5.6587238416E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  7.2394545803E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.2394545803E-05  5.6587238416E-04
  0.0000000000E+00  5.6587238416E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.6769930342E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6769930342E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9970370084E-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  1.31110E-02  1.31110E-02  1.33455E-02  1.25214E-02  1.24882E-02  1.25214E-02  1.28761E-02
   dip-dip  1.27796E-02  1.27796E-02  1.27796E-02  1.23510E-02  1.19223E-02  1.23510E-02  1.24939E-02
   qua-qua  3.31399E-04  3.31399E-04  5.65872E-04  1.70400E-04  5.65872E-04  1.70400E-04  3.82255E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.72920E-03 -4.50012E-19 -5.54340E-03 -3.00066E-18
   dip-dip  0.00000E+00  1.69457E-18  0.00000E+00  1.39038E-18
   qua-qua -1.72920E-03 -2.14458E-18 -5.54340E-03 -4.39104E-18

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

 Energ =  -3.60000 eV

 Vmoy = -20.03394 eV, Vmftabs = -23.32535 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.647E-06  2.709E-08    4.032E-03 -2.993E-05    7.554E-04 -5.618E-06
  1  0    1  1      2.515E-03  1.411E-05   -6.430E-02 -3.599E-04   -7.280E-03 -4.059E-05
  2  0    1  1      2.477E-04 -1.023E-06   -1.035E-02  4.285E-05   -1.980E-03  8.223E-06
  3  0    1  1      5.039E-06 -5.347E-08   -2.781E-04  2.954E-06   -6.840E-05  7.272E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1526421838E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1526421838E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9747722706E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  6.4500295242E-05  0.0000000000E+00  2.5964100224E-05
  0.0000000000E+00 -3.3104719488E-05  9.5169105957E-06
  2.5964100224E-05  9.5169105957E-06 -3.2321885121E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.8802507365E-05  9.5169105957E-06
  4.8802507365E-05  0.0000000000E+00 -2.5964100224E-05
  9.5169105957E-06 -2.5964100224E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.5964100224E-05  9.5169105957E-06  8.1515898968E-05
  9.5169105957E-06 -2.5964100224E-05  0.0000000000E+00
  8.1515898968E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.8802507365E-05  9.5169105957E-06
  4.8802507365E-05  0.0000000000E+00 -2.5964100224E-05
  9.5169105957E-06 -2.5964100224E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.3104719488E-05  0.0000000000E+00 -2.5964100224E-05
  0.0000000000E+00  6.4500295242E-05 -9.5169105957E-06
 -2.5964100224E-05 -9.5169105957E-06 -3.2321885121E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  9.5169105957E-06 -2.5964100224E-05  0.0000000000E+00
 -2.5964100224E-05 -9.5169105957E-06  8.1515898968E-05
  0.0000000000E+00  8.1515898968E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.5964100224E-05  9.5169105957E-06  8.1515898968E-05
  9.5169105957E-06 -2.5964100224E-05  0.0000000000E+00
  8.1515898968E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  9.5169105957E-06 -2.5964100224E-05  0.0000000000E+00
 -2.5964100224E-05 -9.5169105957E-06  8.1515898968E-05
  0.0000000000E+00  8.1515898968E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.2321885121E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.2321885121E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2486007080E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2915853103E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2915853103E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1848633623E-02

 Crystal Tensor_qq(ke,je,1,1)
  3.8700177145E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9862831693E-04  5.7101463574E-05
  0.0000000000E+00  5.7101463574E-05 -1.9393131073E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.9281504419E-04  5.7101463574E-05
  2.9281504419E-04  0.0000000000E+00  0.0000000000E+00
  5.7101463574E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  5.7101463574E-05  4.8909539381E-04
  5.7101463574E-05  0.0000000000E+00  0.0000000000E+00
  4.8909539381E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.9281504419E-04  5.7101463574E-05
  2.9281504419E-04  0.0000000000E+00  0.0000000000E+00
  5.7101463574E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.9862831693E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8700177145E-04 -5.7101463574E-05
  0.0000000000E+00 -5.7101463574E-05 -1.9393131073E-05

 Crystal Tensor_qq(ke,je,3,2)
  5.7101463574E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.7101463574E-05  4.8909539381E-04
  0.0000000000E+00  4.8909539381E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  5.7101463574E-05  4.8909539381E-04
  5.7101463574E-05  0.0000000000E+00  0.0000000000E+00
  4.8909539381E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  5.7101463574E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.7101463574E-05  4.8909539381E-04
  0.0000000000E+00  4.8909539381E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.9393131073E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9393131073E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9491604248E-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  1.32087E-02  1.32087E-02  1.34049E-02  1.25374E-02  1.23377E-02  1.25374E-02  1.28947E-02
   dip-dip  1.29159E-02  1.29159E-02  1.29159E-02  1.23822E-02  1.18486E-02  1.23822E-02  1.25601E-02
   qua-qua  2.92815E-04  2.92815E-04  4.89095E-04  1.55176E-04  4.89095E-04  1.55176E-04  3.34623E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.39081E-03  3.84048E-19 -4.45860E-03 -1.79960E-18
   dip-dip  0.00000E+00  2.10944E-18  0.00000E+00  1.73078E-18
   qua-qua -1.39081E-03 -1.72539E-18 -4.45860E-03 -3.53038E-18

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

 Energ =  -3.40000 eV

 Vmoy = -20.03224 eV, Vmftabs = -23.32170 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.593E-06  2.618E-08    3.972E-03 -2.893E-05    7.441E-04 -5.429E-06
  1  0    1  1      2.551E-03  1.525E-05   -6.521E-02 -3.889E-04   -7.384E-03 -4.387E-05
  2  0    1  1      2.457E-04 -9.759E-07   -1.027E-02  4.089E-05   -1.964E-03  7.848E-06
  3  0    1  1      4.936E-06 -5.131E-08   -2.724E-04  2.834E-06   -6.700E-05  6.978E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1827212351E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1827212351E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9637688205E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  5.8875129806E-05  0.0000000000E+00  2.0929355180E-05
  0.0000000000E+00 -2.8209470197E-05  7.4768441591E-06
  2.0929355180E-05  7.4768441591E-06 -2.1005964862E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.3542300002E-05  7.4768441591E-06
  4.3542300002E-05  0.0000000000E+00 -2.0929355180E-05
  7.4768441591E-06 -2.0929355180E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.0929355180E-05  7.4768441591E-06  7.1121130500E-05
  7.4768441591E-06 -2.0929355180E-05  0.0000000000E+00
  7.1121130500E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.3542300002E-05  7.4768441591E-06
  4.3542300002E-05  0.0000000000E+00 -2.0929355180E-05
  7.4768441591E-06 -2.0929355180E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.8209470197E-05  0.0000000000E+00 -2.0929355180E-05
  0.0000000000E+00  5.8875129806E-05 -7.4768441591E-06
 -2.0929355180E-05 -7.4768441591E-06 -2.1005964862E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  7.4768441591E-06 -2.0929355180E-05  0.0000000000E+00
 -2.0929355180E-05 -7.4768441591E-06  7.1121130500E-05
  0.0000000000E+00  7.1121130500E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.0929355180E-05  7.4768441591E-06  7.1121130500E-05
  7.4768441591E-06 -2.0929355180E-05  0.0000000000E+00
  7.1121130500E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  7.4768441591E-06 -2.0929355180E-05  0.0000000000E+00
 -2.0929355180E-05 -7.4768441591E-06  7.1121130500E-05
  0.0000000000E+00  7.1121130500E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.1005964862E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1005964862E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1985267712E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3096327411E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3096327411E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1782612923E-02

 Crystal Tensor_qq(ke,je,1,1)
  3.5325077884E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6925682118E-04  4.4861064955E-05
  0.0000000000E+00  4.4861064955E-05 -1.2603578917E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.6125380001E-04  4.4861064955E-05
  2.6125380001E-04  0.0000000000E+00  0.0000000000E+00
  4.4861064955E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  4.4861064955E-05  4.2672678300E-04
  4.4861064955E-05  0.0000000000E+00  0.0000000000E+00
  4.2672678300E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.6125380001E-04  4.4861064955E-05
  2.6125380001E-04  0.0000000000E+00  0.0000000000E+00
  4.4861064955E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.6925682118E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5325077884E-04 -4.4861064955E-05
  0.0000000000E+00 -4.4861064955E-05 -1.2603578917E-05

 Crystal Tensor_qq(ke,je,3,2)
  4.4861064955E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4861064955E-05  4.2672678300E-04
  0.0000000000E+00  4.2672678300E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  4.4861064955E-05  4.2672678300E-04
  4.4861064955E-05  0.0000000000E+00  0.0000000000E+00
  4.2672678300E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  4.4861064955E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.4861064955E-05  4.2672678300E-04
  0.0000000000E+00  4.2672678300E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.2603578917E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2603578917E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9191160627E-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  1.33576E-02  1.33576E-02  1.35231E-02  1.25821E-02  1.22093E-02  1.25821E-02  1.29542E-02
   dip-dip  1.30963E-02  1.30963E-02  1.30963E-02  1.24395E-02  1.17826E-02  1.24395E-02  1.26584E-02
   qua-qua  2.61254E-04  2.61254E-04  4.26727E-04  1.42592E-04  4.26727E-04  1.42592E-04  2.95800E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.12114E-03  1.20630E-18 -3.59412E-03 -7.13567E-19
   dip-dip  0.00000E+00  2.59672E-18  0.00000E+00  2.13059E-18
   qua-qua -1.12114E-03 -1.39042E-18 -3.59412E-03 -2.84415E-18

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

 Energ =  -3.20000 eV

 Vmoy = -20.03055 eV, Vmftabs = -23.31808 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.540E-06  2.531E-08    3.914E-03 -2.797E-05    7.332E-04 -5.249E-06
  1  0    1  1      2.590E-03  1.645E-05   -6.619E-02 -4.195E-04   -7.494E-03 -4.733E-05
  2  0    1  1      2.438E-04 -9.312E-07   -1.019E-02  3.902E-05   -1.949E-03  7.489E-06
  3  0    1  1      4.838E-06 -4.927E-08   -2.670E-04  2.721E-06   -6.566E-05  6.700E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2210446098E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2210446098E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9539540241E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  5.4254325351E-05  0.0000000000E+00  1.6863136965E-05
  0.0000000000E+00 -2.4145356049E-05  5.8203492487E-06
  1.6863136965E-05  5.8203492487E-06 -1.0430495324E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.9199840700E-05  5.8203492487E-06
  3.9199840700E-05  0.0000000000E+00 -1.6863136965E-05
  5.8203492487E-06 -1.6863136965E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.6863136965E-05  5.8203492487E-06  6.2559669680E-05
  5.8203492487E-06 -1.6863136965E-05  0.0000000000E+00
  6.2559669680E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.9199840700E-05  5.8203492487E-06
  3.9199840700E-05  0.0000000000E+00 -1.6863136965E-05
  5.8203492487E-06 -1.6863136965E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.4145356049E-05  0.0000000000E+00 -1.6863136965E-05
  0.0000000000E+00  5.4254325351E-05 -5.8203492487E-06
 -1.6863136965E-05 -5.8203492487E-06 -1.0430495324E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  5.8203492487E-06 -1.6863136965E-05  0.0000000000E+00
 -1.6863136965E-05 -5.8203492487E-06  6.2559669680E-05
  0.0000000000E+00  6.2559669680E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.6863136965E-05  5.8203492487E-06  6.2559669680E-05
  5.8203492487E-06 -1.6863136965E-05  0.0000000000E+00
  6.2559669680E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  5.8203492487E-06 -1.6863136965E-05  0.0000000000E+00
 -1.6863136965E-05 -5.8203492487E-06  6.2559669680E-05
  0.0000000000E+00  6.2559669680E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.0430495324E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0430495324E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1760983503E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3326267659E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3326267659E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1723724144E-02

 Crystal Tensor_qq(ke,je,1,1)
  3.2552595210E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4487213629E-04  3.4922095492E-05
  0.0000000000E+00  3.4922095492E-05 -6.2582971946E-06

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.3519904420E-04  3.4922095492E-05
  2.3519904420E-04  0.0000000000E+00  0.0000000000E+00
  3.4922095492E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.4922095492E-05  3.7535801808E-04
  3.4922095492E-05  0.0000000000E+00  0.0000000000E+00
  3.7535801808E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.3519904420E-04  3.4922095492E-05
  2.3519904420E-04  0.0000000000E+00  0.0000000000E+00
  3.4922095492E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.4487213629E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2552595210E-04 -3.4922095492E-05
  0.0000000000E+00 -3.4922095492E-05 -6.2582971946E-06

 Crystal Tensor_qq(ke,je,3,2)
  3.4922095492E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4922095492E-05  3.7535801808E-04
  0.0000000000E+00  3.7535801808E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.4922095492E-05  3.7535801808E-04
  3.4922095492E-05  0.0000000000E+00  0.0000000000E+00
  3.7535801808E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.4922095492E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4922095492E-05  3.7535801808E-04
  0.0000000000E+00  3.7535801808E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -6.2582971946E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.2582971946E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9056590102E-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  1.35615E-02  1.35615E-02  1.37016E-02  1.26571E-02  1.20991E-02  1.26571E-02  1.30559E-02
   dip-dip  1.33263E-02  1.33263E-02  1.33263E-02  1.25250E-02  1.17237E-02  1.25250E-02  1.27921E-02
   qua-qua  2.35199E-04  2.35199E-04  3.75358E-04  1.32152E-04  3.75358E-04  1.32152E-04  2.63783E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -9.03348E-04  2.04881E-18 -2.89592E-03  3.09528E-19
   dip-dip  0.00000E+00  3.16771E-18  0.00000E+00  2.59908E-18
   qua-qua -9.03348E-04 -1.11890E-18 -2.89592E-03 -2.28955E-18

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

 Energ =  -3.00000 eV

 Vmoy = -20.02885 eV, Vmftabs = -23.31447 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.489E-06  2.449E-08    3.858E-03 -2.705E-05    7.227E-04 -5.078E-06
  1  0    1  1      2.631E-03  1.772E-05   -6.724E-02 -4.521E-04   -7.612E-03 -5.102E-05
  2  0    1  1      2.419E-04 -8.885E-07   -1.011E-02  3.723E-05   -1.934E-03  7.148E-06
  3  0    1  1      4.743E-06 -4.733E-08   -2.618E-04  2.615E-06   -6.438E-05  6.437E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2686601902E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2686601902E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9452920482E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  5.0445362704E-05  0.0000000000E+00  1.3538695974E-05
  0.0000000000E+00 -2.0734460332E-05  4.4577055225E-06
  1.3538695974E-05  4.4577055225E-06 -3.9002251072E-08

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.5589911518E-05  4.4577055225E-06
  3.5589911518E-05  0.0000000000E+00 -1.3538695974E-05
  4.4577055225E-06 -1.3538695974E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.3538695974E-05  4.4577055225E-06  5.5419970895E-05
  4.4577055225E-06 -1.3538695974E-05  0.0000000000E+00
  5.5419970895E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.5589911518E-05  4.4577055225E-06
  3.5589911518E-05  0.0000000000E+00 -1.3538695974E-05
  4.4577055225E-06 -1.3538695974E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.0734460332E-05  0.0000000000E+00 -1.3538695974E-05
  0.0000000000E+00  5.0445362704E-05 -4.4577055225E-06
 -1.3538695974E-05 -4.4577055225E-06 -3.9002251072E-08

 Tensor_qq(ke,je,3,2), prototypical atom
  4.4577055225E-06 -1.3538695974E-05  0.0000000000E+00
 -1.3538695974E-05 -4.4577055225E-06  5.5419970895E-05
  0.0000000000E+00  5.5419970895E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.3538695974E-05  4.4577055225E-06  5.5419970895E-05
  4.4577055225E-06 -1.3538695974E-05  0.0000000000E+00
  5.5419970895E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.4577055225E-06 -1.3538695974E-05  0.0000000000E+00
 -1.3538695974E-05 -4.4577055225E-06  5.5419970895E-05
  0.0000000000E+00  5.5419970895E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -3.9002251072E-08  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.9002251072E-08  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1803939194E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3611961141E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3611961141E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1671752289E-02

 Crystal Tensor_qq(ke,je,1,1)
  3.0267217622E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2440676199E-04  2.6746233135E-05
  0.0000000000E+00  2.6746233135E-05 -2.3401350643E-07

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.1353946911E-04  2.6746233135E-05
  2.1353946911E-04  0.0000000000E+00  0.0000000000E+00
  2.6746233135E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.6746233135E-05  3.3251982537E-04
  2.6746233135E-05  0.0000000000E+00  0.0000000000E+00
  3.3251982537E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.1353946911E-04  2.6746233135E-05
  2.1353946911E-04  0.0000000000E+00  0.0000000000E+00
  2.6746233135E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.2440676199E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0267217622E-04 -2.6746233135E-05
  0.0000000000E+00 -2.6746233135E-05 -2.3401350643E-07

 Crystal Tensor_qq(ke,je,3,2)
  2.6746233135E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6746233135E-05  3.3251982537E-04
  0.0000000000E+00  3.3251982537E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.6746233135E-05  3.3251982537E-04
  2.6746233135E-05  0.0000000000E+00  0.0000000000E+00
  3.3251982537E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.6746233135E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.6746233135E-05  3.3251982537E-04
  0.0000000000E+00  3.3251982537E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -2.3401350643E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.3401350643E-07  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9082363517E-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  1.38255E-02  1.38255E-02  1.39445E-02  1.27653E-02  1.20043E-02  1.27653E-02  1.32023E-02
   dip-dip  1.36120E-02  1.36120E-02  1.36120E-02  1.26419E-02  1.16718E-02  1.26419E-02  1.29652E-02
   qua-qua  2.13539E-04  2.13539E-04  3.32520E-04  1.23491E-04  3.32520E-04  1.23491E-04  2.37119E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -7.25279E-04  2.93938E-18 -2.32507E-03  1.31107E-18
   dip-dip  0.00000E+00  3.83527E-18  0.00000E+00  3.14680E-18
   qua-qua -7.25279E-04 -8.95893E-19 -2.32507E-03 -1.83573E-18

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

 Energ =  -2.80000 eV

 Vmoy = -20.02715 eV, Vmftabs = -23.31089 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.440E-06  2.370E-08    3.803E-03 -2.618E-05    7.125E-04 -4.914E-06
  1  0    1  1      2.674E-03  1.909E-05   -6.835E-02 -4.869E-04   -7.739E-03 -5.496E-05
  2  0    1  1      2.401E-04 -8.477E-07   -1.003E-02  3.553E-05   -1.920E-03  6.821E-06
  3  0    1  1      4.652E-06 -4.551E-08   -2.567E-04  2.514E-06   -6.314E-05  6.189E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3268258577E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3268258577E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9378063401E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  4.7305494917E-05  0.0000000000E+00  1.0789989864E-05
  0.0000000000E+00 -1.7844315295E-05  3.3238645585E-06
  1.0789989864E-05  3.3238645585E-06  9.3016545240E-07

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.2574905106E-05  3.3238645585E-06
  3.2574905106E-05  0.0000000000E+00 -1.0789989864E-05
  3.3238645585E-06 -1.0789989864E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.0789989864E-05  3.3238645585E-06  4.9399131201E-05
  3.3238645585E-06 -1.0789989864E-05  0.0000000000E+00
  4.9399131201E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.2574905106E-05  3.3238645585E-06
  3.2574905106E-05  0.0000000000E+00 -1.0789989864E-05
  3.3238645585E-06 -1.0789989864E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.7844315295E-05  0.0000000000E+00 -1.0789989864E-05
  0.0000000000E+00  4.7305494917E-05 -3.3238645585E-06
 -1.0789989864E-05 -3.3238645585E-06  9.3016545240E-07

 Tensor_qq(ke,je,3,2), prototypical atom
  3.3238645585E-06 -1.0789989864E-05  0.0000000000E+00
 -1.0789989864E-05 -3.3238645585E-06  4.9399131201E-05
  0.0000000000E+00  4.9399131201E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.0789989864E-05  3.3238645585E-06  4.9399131201E-05
  3.3238645585E-06 -1.0789989864E-05  0.0000000000E+00
  4.9399131201E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.3238645585E-06 -1.0789989864E-05  0.0000000000E+00
 -1.0789989864E-05 -3.3238645585E-06  4.9399131201E-05
  0.0000000000E+00  4.9399131201E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  9.3016545240E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.3016545240E-07  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2115241017E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3960955146E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3960955146E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1626838040E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.8383296950E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0706589177E-04  1.9943187351E-05
  0.0000000000E+00  1.9943187351E-05  5.5809927144E-06

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.9544943064E-04  1.9943187351E-05
  1.9544943064E-04  0.0000000000E+00  0.0000000000E+00
  1.9943187351E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.9943187351E-05  2.9639478721E-04
  1.9943187351E-05  0.0000000000E+00  0.0000000000E+00
  2.9639478721E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.9544943064E-04  1.9943187351E-05
  1.9544943064E-04  0.0000000000E+00  0.0000000000E+00
  1.9943187351E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.0706589177E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8383296950E-04 -1.9943187351E-05
  0.0000000000E+00 -1.9943187351E-05  5.5809927144E-06

 Crystal Tensor_qq(ke,je,3,2)
  1.9943187351E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9943187351E-05  2.9639478721E-04
  0.0000000000E+00  2.9639478721E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.9943187351E-05  2.9639478721E-04
  1.9943187351E-05  0.0000000000E+00  0.0000000000E+00
  2.9639478721E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.9943187351E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.9943187351E-05  2.9639478721E-04
  0.0000000000E+00  2.9639478721E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  5.5809927144E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.5809927144E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9269144610E-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  1.41564E-02  1.41564E-02  1.42573E-02  1.29102E-02  1.19232E-02  1.29102E-02  1.33976E-02
   dip-dip  1.39610E-02  1.39610E-02  1.39610E-02  1.27939E-02  1.16268E-02  1.27939E-02  1.31829E-02
   qua-qua  1.95449E-04  1.95449E-04  2.96395E-04  1.16341E-04  2.96395E-04  1.16341E-04  2.14732E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -5.78043E-04  3.90355E-18 -1.85307E-03  2.32565E-18
   dip-dip  0.00000E+00  4.61404E-18  0.00000E+00  3.78577E-18
   qua-qua -5.78043E-04 -7.10489E-19 -1.85307E-03 -1.46012E-18

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

 Energ =  -2.60000 eV

 Vmoy = -20.02547 eV, Vmftabs = -23.30733 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.392E-06  2.294E-08    3.750E-03 -2.535E-05    7.026E-04 -4.758E-06
  1  0    1  1      2.721E-03  2.054E-05   -6.955E-02 -5.241E-04   -7.874E-03 -5.917E-05
  2  0    1  1      2.384E-04 -8.086E-07   -9.964E-03  3.389E-05   -1.906E-03  6.508E-06
  3  0    1  1      4.565E-06 -4.377E-08   -2.519E-04  2.418E-06   -6.195E-05  5.953E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3970501790E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3970501790E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9315976404E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  4.4728265077E-05  0.0000000000E+00  8.4938491080E-06
  0.0000000000E+00 -1.5374837736E-05  2.3714193056E-06
  8.4938491080E-06  2.3714193056E-06  1.8822518535E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.0051551407E-05  2.3714193056E-06
  3.0051551407E-05  0.0000000000E+00 -8.4938491080E-06
  2.3714193056E-06 -8.4938491080E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  8.4938491080E-06  2.3714193056E-06  4.4271505316E-05
  2.3714193056E-06 -8.4938491080E-06  0.0000000000E+00
  4.4271505316E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.0051551407E-05  2.3714193056E-06
  3.0051551407E-05  0.0000000000E+00 -8.4938491080E-06
  2.3714193056E-06 -8.4938491080E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.5374837736E-05  0.0000000000E+00 -8.4938491080E-06
  0.0000000000E+00  4.4728265077E-05 -2.3714193056E-06
 -8.4938491080E-06 -2.3714193056E-06  1.8822518535E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  2.3714193056E-06 -8.4938491080E-06  0.0000000000E+00
 -8.4938491080E-06 -2.3714193056E-06  4.4271505316E-05
  0.0000000000E+00  4.4271505316E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  8.4938491080E-06  2.3714193056E-06  4.4271505316E-05
  2.3714193056E-06 -8.4938491080E-06  0.0000000000E+00
  4.4271505316E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.3714193056E-06 -8.4938491080E-06  0.0000000000E+00
 -8.4938491080E-06 -2.3714193056E-06  4.4271505316E-05
  0.0000000000E+00  4.4271505316E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.8822518535E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8822518535E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2705867167E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.4382301074E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4382301074E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1589585843E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.6836959046E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.2249026417E-05  1.4228515833E-05
  0.0000000000E+00  1.4228515833E-05  1.1293511121E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.8030930844E-04  1.4228515833E-05
  1.8030930844E-04  0.0000000000E+00  0.0000000000E+00
  1.4228515833E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.4228515833E-05  2.6562903190E-04
  1.4228515833E-05  0.0000000000E+00  0.0000000000E+00
  2.6562903190E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.8030930844E-04  1.4228515833E-05
  1.8030930844E-04  0.0000000000E+00  0.0000000000E+00
  1.4228515833E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -9.2249026417E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6836959046E-04 -1.4228515833E-05
  0.0000000000E+00 -1.4228515833E-05  1.1293511121E-05

 Crystal Tensor_qq(ke,je,3,2)
  1.4228515833E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4228515833E-05  2.6562903190E-04
  0.0000000000E+00  2.6562903190E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.4228515833E-05  2.6562903190E-04
  1.4228515833E-05  0.0000000000E+00  0.0000000000E+00
  2.6562903190E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.4228515833E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4228515833E-05  2.6562903190E-04
  0.0000000000E+00  2.6562903190E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.1293511121E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1293511121E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9623520300E-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  1.45626E-02  1.45626E-02  1.46479E-02  1.30964E-02  1.18552E-02  1.30964E-02  1.36472E-02
   dip-dip  1.43823E-02  1.43823E-02  1.43823E-02  1.29859E-02  1.15896E-02  1.29859E-02  1.34514E-02
   qua-qua  1.80309E-04  1.80309E-04  2.65629E-04  1.10504E-04  2.65629E-04  1.10504E-04  1.95823E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -4.55046E-04  4.96608E-18 -1.45877E-03  3.38369E-18
   dip-dip  0.00000E+00  5.52073E-18  0.00000E+00  4.52971E-18
   qua-qua -4.55046E-04 -5.54649E-19 -1.45877E-03 -1.14601E-18

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

 Energ =  -2.40000 eV

 Vmoy = -20.02378 eV, Vmftabs = -23.30379 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.346E-06  2.222E-08    3.699E-03 -2.456E-05    6.930E-04 -4.609E-06
  1  0    1  1      2.771E-03  2.211E-05   -7.083E-02 -5.641E-04   -8.019E-03 -6.368E-05
  2  0    1  1      2.368E-04 -7.713E-07   -9.896E-03  3.233E-05   -1.893E-03  6.209E-06
  3  0    1  1      4.481E-06 -4.213E-08   -2.472E-04  2.327E-06   -6.081E-05  5.730E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.4811436542E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4811436542E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9268648268E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  4.2634174916E-05  0.0000000000E+00  6.5580094430E-06
  0.0000000000E+00 -1.3249111522E-05  1.5659260889E-06
  6.5580094430E-06  1.5659260889E-06  2.8352559895E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.7941643219E-05  1.5659260889E-06
  2.7941643219E-05  0.0000000000E+00 -6.5580094430E-06
  1.5659260889E-06 -6.5580094430E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  6.5580094430E-06  1.5659260889E-06  3.9867449124E-05
  1.5659260889E-06 -6.5580094430E-06  0.0000000000E+00
  3.9867449124E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.7941643219E-05  1.5659260889E-06
  2.7941643219E-05  0.0000000000E+00 -6.5580094430E-06
  1.5659260889E-06 -6.5580094430E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.3249111522E-05  0.0000000000E+00 -6.5580094430E-06
  0.0000000000E+00  4.2634174916E-05 -1.5659260889E-06
 -6.5580094430E-06 -1.5659260889E-06  2.8352559895E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  1.5659260889E-06 -6.5580094430E-06  0.0000000000E+00
 -6.5580094430E-06 -1.5659260889E-06  3.9867449124E-05
  0.0000000000E+00  3.9867449124E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  6.5580094430E-06  1.5659260889E-06  3.9867449124E-05
  1.5659260889E-06 -6.5580094430E-06  0.0000000000E+00
  3.9867449124E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.5659260889E-06 -6.5580094430E-06  0.0000000000E+00
 -6.5580094430E-06 -1.5659260889E-06  3.9867449124E-05
  0.0000000000E+00  3.9867449124E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.8352559895E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8352559895E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3596715357E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.4886861925E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4886861925E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1561188961E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.5580504949E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.9494669131E-05  9.3955565331E-06
  0.0000000000E+00  9.3955565331E-06  1.7011535937E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.6764985931E-04  9.3955565331E-06
  1.6764985931E-04  0.0000000000E+00  0.0000000000E+00
  9.3955565331E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  9.3955565331E-06  2.3920469475E-04
  9.3955565331E-06  0.0000000000E+00  0.0000000000E+00
  2.3920469475E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.6764985931E-04  9.3955565331E-06
  1.6764985931E-04  0.0000000000E+00  0.0000000000E+00
  9.3955565331E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -7.9494669131E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5580504949E-04 -9.3955565331E-06
  0.0000000000E+00 -9.3955565331E-06  1.7011535937E-05

 Crystal Tensor_qq(ke,je,3,2)
  9.3955565331E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.3955565331E-06  2.3920469475E-04
  0.0000000000E+00  2.3920469475E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  9.3955565331E-06  2.3920469475E-04
  9.3955565331E-06  0.0000000000E+00  0.0000000000E+00
  2.3920469475E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  9.3955565331E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -9.3955565331E-06  2.3920469475E-04
  0.0000000000E+00  2.3920469475E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.7011535937E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7011535937E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0158029214E-04

 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  1.50545E-02  1.50545E-02  1.51261E-02  1.33299E-02  1.18004E-02  1.33299E-02  1.39581E-02
   dip-dip  1.48869E-02  1.48869E-02  1.48869E-02  1.32240E-02  1.15612E-02  1.32240E-02  1.37783E-02
   qua-qua  1.67650E-04  1.67650E-04  2.39205E-04  1.05841E-04  2.39205E-04  1.05841E-04  1.79789E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -3.51345E-04  6.15207E-18 -1.12633E-03  4.51338E-18
   dip-dip  0.00000E+00  6.57447E-18  0.00000E+00  5.39429E-18
   qua-qua -3.51345E-04 -4.22398E-19 -1.12633E-03 -8.80906E-19

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

 Energ =  -2.20000 eV

 Vmoy = -20.02211 eV, Vmftabs = -23.30027 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.301E-06  2.154E-08    3.650E-03 -2.380E-05    6.838E-04 -4.467E-06
  1  0    1  1      2.825E-03  2.379E-05   -7.220E-02 -6.071E-04   -8.173E-03 -6.855E-05
  2  0    1  1      2.353E-04 -7.354E-07   -9.831E-03  3.083E-05   -1.881E-03  5.922E-06
  3  0    1  1      4.400E-06 -4.057E-08   -2.428E-04  2.241E-06   -5.971E-05  5.518E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.5812953371E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5812953371E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9239210252E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  4.0964057012E-05  0.0000000000E+00  4.9127325666E-06
  0.0000000000E+00 -1.1406660074E-05  8.8260368462E-07
  4.9127325666E-06  8.8260368462E-07  3.8083683759E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.6185358543E-05  8.8260368462E-07
  2.6185358543E-05  0.0000000000E+00 -4.9127325666E-06
  8.8260368462E-07 -4.9127325666E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  4.9127325666E-06  8.8260368462E-07  3.6058548176E-05
  8.8260368462E-07 -4.9127325666E-06  0.0000000000E+00
  3.6058548176E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.6185358543E-05  8.8260368462E-07
  2.6185358543E-05  0.0000000000E+00 -4.9127325666E-06
  8.8260368462E-07 -4.9127325666E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.1406660074E-05  0.0000000000E+00 -4.9127325666E-06
  0.0000000000E+00  4.0964057012E-05 -8.8260368462E-07
 -4.9127325666E-06 -8.8260368462E-07  3.8083683759E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  8.8260368462E-07 -4.9127325666E-06  0.0000000000E+00
 -4.9127325666E-06 -8.8260368462E-07  3.6058548176E-05
  0.0000000000E+00  3.6058548176E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  4.9127325666E-06  8.8260368462E-07  3.6058548176E-05
  8.8260368462E-07 -4.9127325666E-06  0.0000000000E+00
  3.6058548176E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  8.8260368462E-07 -4.9127325666E-06  0.0000000000E+00
 -4.9127325666E-06 -8.8260368462E-07  3.6058548176E-05
  0.0000000000E+00  3.6058548176E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  3.8083683759E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8083683759E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4819444728E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.5487772023E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5487772023E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1543526151E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.4578434207E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.8439960443E-05  5.2956221077E-06
  0.0000000000E+00  5.2956221077E-06  2.2850210255E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.5711215126E-04  5.2956221077E-06
  1.5711215126E-04  0.0000000000E+00  0.0000000000E+00
  5.2956221077E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  5.2956221077E-06  2.1635128905E-04
  5.2956221077E-06  0.0000000000E+00  0.0000000000E+00
  2.1635128905E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.5711215126E-04  5.2956221077E-06
  1.5711215126E-04  0.0000000000E+00  0.0000000000E+00
  5.2956221077E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -6.8439960443E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4578434207E-04 -5.2956221077E-06
  0.0000000000E+00 -5.2956221077E-06  2.2850210255E-05

 Crystal Tensor_qq(ke,je,3,2)
  5.2956221077E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.2956221077E-06  2.1635128905E-04
  0.0000000000E+00  2.1635128905E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  5.2956221077E-06  2.1635128905E-04
  5.2956221077E-06  0.0000000000E+00  0.0000000000E+00
  2.1635128905E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  5.2956221077E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.2956221077E-06  2.1635128905E-04
  0.0000000000E+00  2.1635128905E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  2.2850210255E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2850210255E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0891666837E-04

 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  1.56449E-02  1.56449E-02  1.57041E-02  1.36179E-02  1.17599E-02  1.36179E-02  1.43392E-02
   dip-dip  1.54878E-02  1.54878E-02  1.54878E-02  1.35156E-02  1.15435E-02  1.35156E-02  1.41730E-02
   qua-qua  1.57112E-04  1.57112E-04  2.16351E-04  1.02250E-04  2.16351E-04  1.02250E-04  1.66178E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.63206E-04  7.48823E-18 -8.43776E-04  5.74241E-18
   dip-dip  0.00000E+00  7.79752E-18  0.00000E+00  6.39779E-18
   qua-qua -2.63206E-04 -3.09290E-19 -8.43776E-04 -6.55380E-19

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

 Energ =  -2.00000 eV

 Vmoy = -20.02043 eV, Vmftabs = -23.29677 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.258E-06  2.088E-08    3.602E-03 -2.307E-05    6.748E-04 -4.331E-06
  1  0    1  1      2.882E-03  2.561E-05   -7.366E-02 -6.535E-04   -8.339E-03 -7.380E-05
  2  0    1  1      2.338E-04 -7.011E-07   -9.769E-03  2.940E-05   -1.869E-03  5.648E-06
  3  0    1  1      4.322E-06 -3.909E-08   -2.385E-04  2.159E-06   -5.865E-05  5.317E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.7001818683E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7001818683E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9232257328E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.9674583914E-05  0.0000000000E+00  3.5051863826E-06
  0.0000000000E+00 -9.7984839592E-06  3.0408716227E-07
  3.5051863826E-06  3.0408716227E-07  4.8229232537E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.4736533936E-05  3.0408716227E-07
  2.4736533936E-05  0.0000000000E+00 -3.5051863826E-06
  3.0408716227E-07 -3.5051863826E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  3.5051863826E-06  3.0408716227E-07  3.2747834399E-05
  3.0408716227E-07 -3.5051863826E-06  0.0000000000E+00
  3.2747834399E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.4736533936E-05  3.0408716227E-07
  2.4736533936E-05  0.0000000000E+00 -3.5051863826E-06
  3.0408716227E-07 -3.5051863826E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -9.7984839592E-06  0.0000000000E+00 -3.5051863826E-06
  0.0000000000E+00  3.9674583914E-05 -3.0408716227E-07
 -3.5051863826E-06 -3.0408716227E-07  4.8229232537E-06

 Tensor_qq(ke,je,3,2), prototypical atom
  3.0408716227E-07 -3.5051863826E-06  0.0000000000E+00
 -3.5051863826E-06 -3.0408716227E-07  3.2747834399E-05
  0.0000000000E+00  3.2747834399E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  3.5051863826E-06  3.0408716227E-07  3.2747834399E-05
  3.0408716227E-07 -3.5051863826E-06  0.0000000000E+00
  3.2747834399E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  3.0408716227E-07 -3.5051863826E-06  0.0000000000E+00
 -3.5051863826E-06 -3.0408716227E-07  3.2747834399E-05
  0.0000000000E+00  3.2747834399E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  4.8229232537E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8229232537E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6417753279E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.6201091210E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6201091210E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1539354397E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.3804750348E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.8790903755E-05  1.8245229736E-06
  0.0000000000E+00  1.8245229736E-06  2.8937539522E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.4841920362E-04  1.8245229736E-06
  1.4841920362E-04  0.0000000000E+00  0.0000000000E+00
  1.8245229736E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.8245229736E-06  1.9648700640E-04
  1.8245229736E-06  0.0000000000E+00  0.0000000000E+00
  1.9648700640E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.4841920362E-04  1.8245229736E-06
  1.4841920362E-04  0.0000000000E+00  0.0000000000E+00
  1.8245229736E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.8790903755E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3804750348E-04 -1.8245229736E-06
  0.0000000000E+00 -1.8245229736E-06  2.8937539522E-05

 Crystal Tensor_qq(ke,je,3,2)
  1.8245229736E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8245229736E-06  1.9648700640E-04
  0.0000000000E+00  1.9648700640E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.8245229736E-06  1.9648700640E-04
  1.8245229736E-06  0.0000000000E+00  0.0000000000E+00
  1.9648700640E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.8245229736E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8245229736E-06  1.9648700640E-04
  0.0000000000E+00  1.9648700640E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  2.8937539522E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8937539522E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1850651968E-04

 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  1.63495E-02  1.63495E-02  1.63976E-02  1.39699E-02  1.17358E-02  1.39699E-02  1.48018E-02
   dip-dip  1.62011E-02  1.62011E-02  1.62011E-02  1.38702E-02  1.15394E-02  1.38702E-02  1.46472E-02
   qua-qua  1.48419E-04  1.48419E-04  1.96487E-04  9.96697E-05  1.96487E-04  9.96697E-05  1.54646E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.87800E-04  9.00416E-18 -6.02042E-04  7.09946E-18
   dip-dip  0.00000E+00  9.21619E-18  0.00000E+00  7.56180E-18
   qua-qua -1.87800E-04 -2.12032E-19 -6.02042E-04 -4.62338E-19

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

 Energ =  -1.80000 eV

 Vmoy = -20.01876 eV, Vmftabs = -23.29330 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.216E-06  2.025E-08    3.556E-03 -2.237E-05    6.661E-04 -4.200E-06
  1  0    1  1      2.944E-03  2.758E-05   -7.523E-02 -7.038E-04   -8.517E-03 -7.949E-05
  2  0    1  1      2.324E-04 -6.682E-07   -9.710E-03  2.802E-05   -1.857E-03  5.384E-06
  3  0    1  1      4.246E-06 -3.768E-08   -2.343E-04  2.081E-06   -5.763E-05  5.125E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.8411114832E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8411114832E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9254024035E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.8734545099E-05  0.0000000000E+00  2.2951334175E-06
  0.0000000000E+00 -8.3826972099E-06 -1.8140904998E-07
  2.2951334175E-06 -1.8140904998E-07  5.9035663415E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.3558621154E-05 -1.8140904998E-07
  2.3558621154E-05  0.0000000000E+00 -2.2951334175E-06
 -1.8140904998E-07 -2.2951334175E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.2951334175E-06 -1.8140904998E-07  2.9862191430E-05
 -1.8140904998E-07 -2.2951334175E-06  0.0000000000E+00
  2.9862191430E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.3558621154E-05 -1.8140904998E-07
  2.3558621154E-05  0.0000000000E+00 -2.2951334175E-06
 -1.8140904998E-07 -2.2951334175E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -8.3826972099E-06  0.0000000000E+00 -2.2951334175E-06
  0.0000000000E+00  3.8734545099E-05  1.8140904998E-07
 -2.2951334175E-06  1.8140904998E-07  5.9035663415E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.8140904998E-07 -2.2951334175E-06  0.0000000000E+00
 -2.2951334175E-06  1.8140904998E-07  2.9862191430E-05
  0.0000000000E+00  2.9862191430E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.2951334175E-06 -1.8140904998E-07  2.9862191430E-05
 -1.8140904998E-07 -2.2951334175E-06  0.0000000000E+00
  2.9862191430E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.8140904998E-07 -2.2951334175E-06  0.0000000000E+00
 -2.2951334175E-06  1.8140904998E-07  2.9862191430E-05
  0.0000000000E+00  2.9862191430E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  5.9035663415E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9035663415E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8449302779E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.7046668899E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7046668899E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1552414421E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.3240727059E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.0296183259E-05 -1.0884542999E-06
  0.0000000000E+00 -1.0884542999E-06  3.5421398049E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.4135172693E-04 -1.0884542999E-06
  1.4135172693E-04  0.0000000000E+00  0.0000000000E+00
 -1.0884542999E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.0884542999E-06  1.7917314858E-04
 -1.0884542999E-06  0.0000000000E+00  0.0000000000E+00
  1.7917314858E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.4135172693E-04 -1.0884542999E-06
  1.4135172693E-04  0.0000000000E+00  0.0000000000E+00
 -1.0884542999E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.0296183259E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3240727059E-04  1.0884542999E-06
  0.0000000000E+00  1.0884542999E-06  3.5421398049E-05

 Crystal Tensor_qq(ke,je,3,2)
 -1.0884542999E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0884542999E-06  1.7917314858E-04
  0.0000000000E+00  1.7917314858E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.0884542999E-06  1.7917314858E-04
 -1.0884542999E-06  0.0000000000E+00  0.0000000000E+00
  1.7917314858E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.0884542999E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0884542999E-06  1.7917314858E-04
  0.0000000000E+00  1.7917314858E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.5421398049E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5421398049E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3069581667E-04

 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  1.71880E-02  1.71880E-02  1.72258E-02  1.43976E-02  1.17316E-02  1.43976E-02  1.53602E-02
   dip-dip  1.70467E-02  1.70467E-02  1.70467E-02  1.42995E-02  1.15524E-02  1.42995E-02  1.52153E-02
   qua-qua  1.41352E-04  1.41352E-04  1.79173E-04  9.80651E-05  1.79173E-04  9.80651E-05  1.44937E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.22971E-04  1.07341E-17 -3.94216E-04  8.61604E-18
   dip-dip  0.00000E+00  1.08623E-17  0.00000E+00  8.91245E-18
   qua-qua -1.22971E-04 -1.28202E-19 -3.94216E-04 -2.96413E-19

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

 Energ =  -1.60000 eV

 Vmoy = -20.01707 eV, Vmftabs = -23.28984 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.175E-06  1.965E-08    3.511E-03 -2.171E-05    6.577E-04 -4.075E-06
  1  0    1  1      3.010E-03  2.972E-05   -7.691E-02 -7.585E-04   -8.707E-03 -8.567E-05
  2  0    1  1      2.310E-04 -6.365E-07   -9.654E-03  2.670E-05   -1.847E-03  5.131E-06
  3  0    1  1      4.174E-06 -3.634E-08   -2.303E-04  2.007E-06   -5.664E-05  4.943E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.0081973529E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0081973529E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9312447513E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.8121903020E-05  0.0000000000E+00  1.2516603264E-06
  0.0000000000E+00 -7.1207207289E-06 -5.8168462019E-07
  1.2516603264E-06 -5.8168462019E-07  7.0795801351E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.2621311874E-05 -5.8168462019E-07
  2.2621311874E-05  0.0000000000E+00 -1.2516603264E-06
 -5.8168462019E-07 -1.2516603264E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.2516603264E-06 -5.8168462019E-07  2.7346663597E-05
 -5.8168462019E-07 -1.2516603264E-06  0.0000000000E+00
  2.7346663597E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.2621311874E-05 -5.8168462019E-07
  2.2621311874E-05  0.0000000000E+00 -1.2516603264E-06
 -5.8168462019E-07 -1.2516603264E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -7.1207207289E-06  0.0000000000E+00 -1.2516603264E-06
  0.0000000000E+00  3.8121903020E-05  5.8168462019E-07
 -1.2516603264E-06  5.8168462019E-07  7.0795801351E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -5.8168462019E-07 -1.2516603264E-06  0.0000000000E+00
 -1.2516603264E-06  5.8168462019E-07  2.7346663597E-05
  0.0000000000E+00  2.7346663597E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.2516603264E-06 -5.8168462019E-07  2.7346663597E-05
 -5.8168462019E-07 -1.2516603264E-06  0.0000000000E+00
  2.7346663597E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -5.8168462019E-07 -1.2516603264E-06  0.0000000000E+00
 -1.2516603264E-06  5.8168462019E-07  2.7346663597E-05
  0.0000000000E+00  2.7346663597E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  7.0795801351E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.0795801351E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0988158890E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8049184117E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8049184117E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1587468508E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.2873141812E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -4.2724324373E-05 -3.4901077211E-06
  0.0000000000E+00 -3.4901077211E-06  4.2477480811E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.3572787125E-04 -3.4901077211E-06
  1.3572787125E-04  0.0000000000E+00  0.0000000000E+00
 -3.4901077211E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.4901077211E-06  1.6407998158E-04
 -3.4901077211E-06  0.0000000000E+00  0.0000000000E+00
  1.6407998158E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.3572787125E-04 -3.4901077211E-06
  1.3572787125E-04  0.0000000000E+00  0.0000000000E+00
 -3.4901077211E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -4.2724324373E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2873141812E-04  3.4901077211E-06
  0.0000000000E+00  3.4901077211E-06  4.2477480811E-05

 Crystal Tensor_qq(ke,je,3,2)
 -3.4901077211E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4901077211E-06  1.6407998158E-04
  0.0000000000E+00  1.6407998158E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.4901077211E-06  1.6407998158E-04
 -3.4901077211E-06  0.0000000000E+00  0.0000000000E+00
  1.6407998158E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.4901077211E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4901077211E-06  1.6407998158E-04
  0.0000000000E+00  1.6407998158E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.2477480811E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2477480811E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4592895334E-04

 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  1.81849E-02  1.81849E-02  1.82133E-02  1.49158E-02  1.17515E-02  1.49158E-02  1.60321E-02
   dip-dip  1.80492E-02  1.80492E-02  1.80492E-02  1.48183E-02  1.15875E-02  1.48183E-02  1.58953E-02
   qua-qua  1.35728E-04  1.35728E-04  1.64080E-04  9.74264E-05  1.64080E-04  9.74264E-05  1.36855E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.70646E-05  1.27194E-17 -2.14993E-04  1.03286E-17
   dip-dip  0.00000E+00  1.27754E-17  0.00000E+00  1.04821E-17
   qua-qua -6.70646E-05 -5.60283E-20 -2.14993E-04 -1.53515E-19

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

 Energ =  -1.40000 eV

 Vmoy = -20.01539 eV, Vmftabs = -23.28640 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.136E-06  1.907E-08    3.467E-03 -2.107E-05    6.495E-04 -3.956E-06
  1  0    1  1      3.080E-03  3.205E-05   -7.872E-02 -8.181E-04   -8.911E-03 -9.241E-05
  2  0    1  1      2.297E-04 -6.061E-07   -9.600E-03  2.543E-05   -1.836E-03  4.888E-06
  3  0    1  1      4.104E-06 -3.507E-08   -2.264E-04  1.937E-06   -5.569E-05  4.770E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.2065790389E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2065790389E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9417172928E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.7821675893E-05  0.0000000000E+00  3.5055227503E-07
  0.0000000000E+00 -5.9737695118E-06 -9.0210222849E-07
  3.5055227503E-07 -9.0210222849E-07  8.3866171464E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.1897722702E-05 -9.0210222849E-07
  2.1897722702E-05  0.0000000000E+00 -3.5055227503E-07
 -9.0210222849E-07 -3.5055227503E-07  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  3.5055227503E-07 -9.0210222849E-07  2.5159981034E-05
 -9.0210222849E-07 -3.5055227503E-07  0.0000000000E+00
  2.5159981034E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.1897722702E-05 -9.0210222849E-07
  2.1897722702E-05  0.0000000000E+00 -3.5055227503E-07
 -9.0210222849E-07 -3.5055227503E-07  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -5.9737695118E-06  0.0000000000E+00 -3.5055227503E-07
  0.0000000000E+00  3.7821675893E-05  9.0210222849E-07
 -3.5055227503E-07  9.0210222849E-07  8.3866171464E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -9.0210222849E-07 -3.5055227503E-07  0.0000000000E+00
 -3.5055227503E-07  9.0210222849E-07  2.5159981034E-05
  0.0000000000E+00  2.5159981034E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  3.5055227503E-07 -9.0210222849E-07  2.5159981034E-05
 -9.0210222849E-07 -3.5055227503E-07  0.0000000000E+00
  2.5159981034E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -9.0210222849E-07 -3.5055227503E-07  0.0000000000E+00
 -3.5055227503E-07  9.0210222849E-07  2.5159981034E-05
  0.0000000000E+00  2.5159981034E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  8.3866171464E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3866171464E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.4128185994E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.9239474234E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9239474234E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1650303757E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.2693005536E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.5842617071E-05 -5.4126133709E-06
  0.0000000000E+00 -5.4126133709E-06  5.0319702878E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.3138633621E-04 -5.4126133709E-06
  1.3138633621E-04  0.0000000000E+00  0.0000000000E+00
 -5.4126133709E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -5.4126133709E-06  1.5095988620E-04
 -5.4126133709E-06  0.0000000000E+00  0.0000000000E+00
  1.5095988620E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.3138633621E-04 -5.4126133709E-06
  1.3138633621E-04  0.0000000000E+00  0.0000000000E+00
 -5.4126133709E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -3.5842617071E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2693005536E-04  5.4126133709E-06
  0.0000000000E+00  5.4126133709E-06  5.0319702878E-05

 Crystal Tensor_qq(ke,je,3,2)
 -5.4126133709E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4126133709E-06  1.5095988620E-04
  0.0000000000E+00  1.5095988620E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -5.4126133709E-06  1.5095988620E-04
 -5.4126133709E-06  0.0000000000E+00  0.0000000000E+00
  1.5095988620E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -5.4126133709E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4126133709E-06  1.5095988620E-04
  0.0000000000E+00  1.5095988620E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  5.0319702878E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0319702878E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6476911596E-04

 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  1.93709E-02  1.93709E-02  1.93904E-02  1.55427E-02  1.18013E-02  1.55427E-02  1.68400E-02
   dip-dip  1.92395E-02  1.92395E-02  1.92395E-02  1.54449E-02  1.16503E-02  1.54449E-02  1.67098E-02
   qua-qua  1.31386E-04  1.31386E-04  1.50960E-04  9.77649E-05  1.50960E-04  9.77649E-05  1.30250E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.87833E-05  1.50107E-17 -6.02146E-05  1.22809E-17
   dip-dip  0.00000E+00  1.50049E-17  0.00000E+00  1.23113E-17
   qua-qua -1.87833E-05  5.80672E-21 -6.02146E-05 -3.04709E-20

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

 Energ =  -1.20000 eV

 Vmoy = -20.01370 eV, Vmftabs = -23.28298 eV

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

 iapr =  1, Z = 27, lmax = 3

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.097E-06  1.852E-08    3.424E-03 -2.046E-05    6.415E-04 -3.841E-06
  1  0    1  1      3.156E-03  3.461E-05   -8.066E-02 -8.833E-04   -9.130E-03 -9.979E-05
  2  0    1  1      2.285E-04 -5.769E-07   -9.548E-03  2.420E-05   -1.826E-03  4.654E-06
  3  0    1  1      4.036E-06 -3.385E-08   -2.227E-04  1.870E-06   -5.478E-05  4.605E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.4425713439E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4425713439E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9579135972E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.7824258692E-05  0.0000000000E+00 -4.2792430062E-07
  0.0000000000E+00 -4.8995932602E-06 -1.1471705743E-06
 -4.2792430062E-07 -1.1471705743E-06  9.8687930157E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.1361925976E-05 -1.1471705743E-06
  2.1361925976E-05  0.0000000000E+00  4.2792430062E-07
 -1.1471705743E-06  4.2792430062E-07  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -4.2792430062E-07 -1.1471705743E-06  2.3270474506E-05
 -1.1471705743E-06  4.2792430062E-07  0.0000000000E+00
  2.3270474506E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.1361925976E-05 -1.1471705743E-06
  2.1361925976E-05  0.0000000000E+00  4.2792430062E-07
 -1.1471705743E-06  4.2792430062E-07  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -4.8995932602E-06  0.0000000000E+00  4.2792430062E-07
  0.0000000000E+00  3.7824258692E-05  1.1471705743E-06
  4.2792430062E-07  1.1471705743E-06  9.8687930157E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.1471705743E-06  4.2792430062E-07  0.0000000000E+00
  4.2792430062E-07  1.1471705743E-06  2.3270474506E-05
  0.0000000000E+00  2.3270474506E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -4.2792430062E-07 -1.1471705743E-06  2.3270474506E-05
 -1.1471705743E-06  4.2792430062E-07  0.0000000000E+00
  2.3270474506E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.1471705743E-06  4.2792430062E-07  0.0000000000E+00
  4.2792430062E-07  1.1471705743E-06  2.3270474506E-05
  0.0000000000E+00  2.3270474506E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  9.8687930157E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.8687930157E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.7986203901E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0655428064E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0655428064E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1747481583E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.2694555215E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.9397559561E-05 -6.8830234460E-06
  0.0000000000E+00 -6.8830234460E-06  5.9212758094E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2817155586E-04 -6.8830234460E-06
  1.2817155586E-04  0.0000000000E+00  0.0000000000E+00
 -6.8830234460E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -6.8830234460E-06  1.3962284704E-04
 -6.8830234460E-06  0.0000000000E+00  0.0000000000E+00
  1.3962284704E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2817155586E-04 -6.8830234460E-06
  1.2817155586E-04  0.0000000000E+00  0.0000000000E+00
 -6.8830234460E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.9397559561E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2694555215E-04  6.8830234460E-06
  0.0000000000E+00  6.8830234460E-06  5.9212758094E-05

 Crystal Tensor_qq(ke,je,3,2)
 -6.8830234460E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8830234460E-06  1.3962284704E-04
  0.0000000000E+00  1.3962284704E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -6.8830234460E-06  1.3962284704E-04
 -6.8830234460E-06  0.0000000000E+00  0.0000000000E+00
  1.3962284704E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -6.8830234460E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8830234460E-06  1.3962284704E-04
  0.0000000000E+00  1.3962284704E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  5.9212758094E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9212758094E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8791722341E-04

 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  2.07836E-02  2.07836E-02  2.07951E-02  1.63006E-02  1.18871E-02  1.63006E-02  1.78111E-02
   dip-dip  2.06554E-02  2.06554E-02  2.06554E-02  1.62015E-02  1.17475E-02  1.62015E-02  1.76861E-02
   qua-qua  1.28172E-04  1.28172E-04  1.39623E-04  9.91093E-05  1.39623E-04  9.91093E-05  1.25002E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.29296E-05  1.76711E-17  7.35068E-05  1.45264E-17
   dip-dip  0.00000E+00  1.76127E-17  0.00000E+00  1.44511E-17
   qua-qua  2.29296E-05  5.83397E-20  7.35068E-05  7.52983E-20

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

 Energ =  -1.00000 eV

 Vmoy = -20.01202 eV, Vmftabs = -23.27958 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.060E-06  1.799E-08    3.383E-03 -1.987E-05    6.338E-04 -3.731E-06
  1  0    1  1      3.238E-03  3.741E-05   -8.274E-02 -9.549E-04   -9.366E-03 -1.079E-04
  2  0    1  1      2.274E-04 -5.488E-07   -9.499E-03  2.303E-05   -1.817E-03  4.428E-06
  3  0    1  1      3.971E-06 -3.270E-08   -2.191E-04  1.806E-06   -5.389E-05  4.448E-07
  4  0    1  1      9.031E-07 -1.084E-08   -6.120E-05  7.353E-07   -1.807E-05  2.174E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.7236250823E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7236250823E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9809654757E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.8325471946E-05  0.0000000000E+00 -1.1386878465E-06
  0.0000000000E+00 -3.6269285120E-06 -1.3401250235E-06
 -1.1386878465E-06 -1.3401250235E-06  1.2177263863E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.0976200229E-05 -1.3401250235E-06
  2.0976200229E-05  0.0000000000E+00  1.1386878465E-06
 -1.3401250235E-06  1.1386878465E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.1386878465E-06 -1.3401250235E-06  2.1599000977E-05
 -1.3401250235E-06  1.1386878465E-06  0.0000000000E+00
  2.1599000977E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.0976200229E-05 -1.3401250235E-06
  2.0976200229E-05  0.0000000000E+00  1.1386878465E-06
 -1.3401250235E-06  1.1386878465E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -3.6269285120E-06  0.0000000000E+00  1.1386878465E-06
  0.0000000000E+00  3.8325471946E-05  1.3401250235E-06
  1.1386878465E-06  1.3401250235E-06  1.2177263863E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.3401250235E-06  1.1386878465E-06  0.0000000000E+00
  1.1386878465E-06  1.3401250235E-06  2.1599000977E-05
  0.0000000000E+00  2.1599000977E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.1386878465E-06 -1.3401250235E-06  2.1599000977E-05
 -1.3401250235E-06  1.1386878465E-06  0.0000000000E+00
  2.1599000977E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.3401250235E-06  1.1386878465E-06  0.0000000000E+00
  1.1386878465E-06  1.3401250235E-06  2.1599000977E-05
  0.0000000000E+00  2.1599000977E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.2177263863E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2177263863E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.4197385888E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.2341750494E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2341750494E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1885792854E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.2995283168E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.1761571072E-05 -8.0407501407E-06
  0.0000000000E+00 -8.0407501407E-06  7.3063583181E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2585720137E-04 -8.0407501407E-06
  1.2585720137E-04  0.0000000000E+00  0.0000000000E+00
 -8.0407501407E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -8.0407501407E-06  1.2959400586E-04
 -8.0407501407E-06  0.0000000000E+00  0.0000000000E+00
  1.2959400586E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2585720137E-04 -8.0407501407E-06
  1.2585720137E-04  0.0000000000E+00  0.0000000000E+00
 -8.0407501407E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -2.1761571072E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2995283168E-04  8.0407501407E-06
  0.0000000000E+00  8.0407501407E-06  7.3063583181E-05

 Crystal Tensor_qq(ke,je,3,2)
 -8.0407501407E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0407501407E-06  1.2959400586E-04
  0.0000000000E+00  1.2959400586E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -8.0407501407E-06  1.2959400586E-04
 -8.0407501407E-06  0.0000000000E+00  0.0000000000E+00
  1.2959400586E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -8.0407501407E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0407501407E-06  1.2959400586E-04
  0.0000000000E+00  1.2959400586E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  7.3063583181E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3063583181E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2518431533E-04

 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  2.24676E-02  2.24676E-02  2.24713E-02  1.72160E-02  1.20154E-02  1.72160E-02  1.89775E-02
   dip-dip  2.23418E-02  2.23418E-02  2.23418E-02  1.71138E-02  1.18858E-02  1.71138E-02  1.88564E-02
   qua-qua  1.25857E-04  1.25857E-04  1.29594E-04  1.02252E-04  1.29594E-04  1.02252E-04  1.21057E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  6.10162E-05  2.07792E-17  1.95603E-04  1.71341E-17
   dip-dip  0.00000E+00  2.06740E-17  0.00000E+00  1.69628E-17
   qua-qua  6.10162E-05  1.05191E-19  1.95603E-04  1.71291E-19

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

 Energ =  -0.80000 eV

 Vmoy = -20.01034 eV, Vmftabs = -23.27620 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -3.024E-06  1.748E-08    3.343E-03 -1.931E-05    6.263E-04 -3.626E-06
  1  0    1  1      3.326E-03  4.050E-05   -8.499E-02 -1.034E-03   -9.620E-03 -1.168E-04
  2  0    1  1      2.262E-04 -5.217E-07   -9.453E-03  2.189E-05   -1.808E-03  4.212E-06
  3  0    1  1      3.908E-06 -3.159E-08   -2.156E-04  1.745E-06   -5.304E-05  4.298E-07
  4  0    1  1      8.823E-07 -1.042E-08   -5.978E-05  7.068E-07   -1.766E-05  2.089E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.0578326055E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0578326055E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0118702324E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.8987933057E-05  0.0000000000E+00 -1.7218899496E-06
  0.0000000000E+00 -2.4853617438E-06 -1.4527613165E-06
 -1.7218899496E-06 -1.4527613165E-06  1.4346554395E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.0736647400E-05 -1.4527613165E-06
  2.0736647400E-05  0.0000000000E+00  1.7218899496E-06
 -1.4527613165E-06  1.7218899496E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.7218899496E-06 -1.4527613165E-06  2.0229814778E-05
 -1.4527613165E-06  1.7218899496E-06  0.0000000000E+00
  2.0229814778E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.0736647400E-05 -1.4527613165E-06
  2.0736647400E-05  0.0000000000E+00  1.7218899496E-06
 -1.4527613165E-06  1.7218899496E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -2.4853617438E-06  0.0000000000E+00  1.7218899496E-06
  0.0000000000E+00  3.8987933057E-05  1.4527613165E-06
  1.7218899496E-06  1.4527613165E-06  1.4346554395E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.4527613165E-06  1.7218899496E-06  0.0000000000E+00
  1.7218899496E-06  1.4527613165E-06  2.0229814778E-05
  0.0000000000E+00  2.0229814778E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.7218899496E-06 -1.4527613165E-06  2.0229814778E-05
 -1.4527613165E-06  1.7218899496E-06  0.0000000000E+00
  2.0229814778E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.4527613165E-06  1.7218899496E-06  0.0000000000E+00
  1.7218899496E-06  1.4527613165E-06  2.0229814778E-05
  0.0000000000E+00  2.0229814778E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.4346554395E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4346554395E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0315058800E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.4346995633E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4346995633E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2071221394E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.3392759834E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4912170463E-05 -8.7165678988E-06
  0.0000000000E+00 -8.7165678988E-06  8.6079326371E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2441988440E-04 -8.7165678988E-06
  1.2441988440E-04  0.0000000000E+00  0.0000000000E+00
 -8.7165678988E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -8.7165678988E-06  1.2137888867E-04
 -8.7165678988E-06  0.0000000000E+00  0.0000000000E+00
  1.2137888867E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2441988440E-04 -8.7165678988E-06
  1.2441988440E-04  0.0000000000E+00  0.0000000000E+00
 -8.7165678988E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.4912170463E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3392759834E-04  8.7165678988E-06
  0.0000000000E+00  8.7165678988E-06  8.6079326371E-05

 Crystal Tensor_qq(ke,je,3,2)
 -8.7165678988E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7165678988E-06  1.2137888867E-04
  0.0000000000E+00  1.2137888867E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -8.7165678988E-06  1.2137888867E-04
 -8.7165678988E-06  0.0000000000E+00  0.0000000000E+00
  1.2137888867E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -8.7165678988E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7165678988E-06  1.2137888867E-04
  0.0000000000E+00  1.2137888867E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  8.6079326371E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.6079326371E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6189035280E-04

 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  2.44714E-02  2.44714E-02  2.44684E-02  1.83150E-02  1.21926E-02  1.83150E-02  2.03733E-02
   dip-dip  2.43470E-02  2.43470E-02  2.43470E-02  1.82091E-02  1.20712E-02  1.82091E-02  2.02551E-02
   qua-qua  1.24420E-04  1.24420E-04  1.21379E-04  1.05915E-04  1.21379E-04  1.05915E-04  1.18269E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  9.22693E-05  2.44148E-17  2.95793E-04  2.01648E-17
   dip-dip  0.00000E+00  2.42728E-17  0.00000E+00  1.99156E-17
   qua-qua  9.22693E-05  1.41948E-19  2.95793E-04  2.49167E-19

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

 Energ =  -0.60000 eV

 Vmoy = -20.00867 eV, Vmftabs = -23.27283 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.989E-06  1.699E-08    3.304E-03 -1.877E-05    6.190E-04 -3.525E-06
  1  0    1  1      3.420E-03  4.391E-05   -8.740E-02 -1.121E-03   -9.893E-03 -1.266E-04
  2  0    1  1      2.252E-04 -4.956E-07   -9.408E-03  2.080E-05   -1.800E-03  4.003E-06
  3  0    1  1      3.847E-06 -3.054E-08   -2.123E-04  1.687E-06   -5.221E-05  4.155E-07
  4  0    1  1      8.622E-07 -1.002E-08   -5.843E-05  6.797E-07   -1.726E-05  2.009E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.4525019544E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4525019544E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0512024060E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  3.9975443140E-05  0.0000000000E+00 -2.2304443021E-06
  0.0000000000E+00 -1.2261364324E-06 -1.5118524947E-06
 -2.2304443021E-06 -1.5118524947E-06  1.6949102316E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.0600789786E-05 -1.5118524947E-06
  2.0600789786E-05  0.0000000000E+00  2.2304443021E-06
 -1.5118524947E-06  2.2304443021E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -2.2304443021E-06 -1.5118524947E-06  1.9084138773E-05
 -1.5118524947E-06  2.2304443021E-06  0.0000000000E+00
  1.9084138773E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.0600789786E-05 -1.5118524947E-06
  2.0600789786E-05  0.0000000000E+00  2.2304443021E-06
 -1.5118524947E-06  2.2304443021E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.2261364324E-06  0.0000000000E+00  2.2304443021E-06
  0.0000000000E+00  3.9975443140E-05  1.5118524947E-06
  2.2304443021E-06  1.5118524947E-06  1.6949102316E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.5118524947E-06  2.2304443021E-06  0.0000000000E+00
  2.2304443021E-06  1.5118524947E-06  1.9084138773E-05
  0.0000000000E+00  1.9084138773E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -2.2304443021E-06 -1.5118524947E-06  1.9084138773E-05
 -1.5118524947E-06  2.2304443021E-06  0.0000000000E+00
  1.9084138773E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.5118524947E-06  2.2304443021E-06  0.0000000000E+00
  2.2304443021E-06  1.5118524947E-06  1.9084138773E-05
  0.0000000000E+00  1.9084138773E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.6949102316E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6949102316E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7743403239E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.6715011727E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6715011727E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2307214436E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.3985265884E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.3568185943E-06 -9.0711149679E-06
  0.0000000000E+00 -9.0711149679E-06  1.0169461390E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2360473872E-04 -9.0711149679E-06
  1.2360473872E-04  0.0000000000E+00  0.0000000000E+00
 -9.0711149679E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -9.0711149679E-06  1.1450483264E-04
 -9.0711149679E-06  0.0000000000E+00  0.0000000000E+00
  1.1450483264E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2360473872E-04 -9.0711149679E-06
  1.2360473872E-04  0.0000000000E+00  0.0000000000E+00
 -9.0711149679E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -7.3568185943E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3985265884E-04  9.0711149679E-06
  0.0000000000E+00  9.0711149679E-06  1.0169461390E-04

 Crystal Tensor_qq(ke,je,3,2)
 -9.0711149679E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0711149679E-06  1.1450483264E-04
  0.0000000000E+00  1.1450483264E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -9.0711149679E-06  1.1450483264E-04
 -9.0711149679E-06  0.0000000000E+00  0.0000000000E+00
  1.1450483264E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -9.0711149679E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0711149679E-06  1.1450483264E-04
  0.0000000000E+00  1.1450483264E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.0169461390E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0169461390E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0646041943E-04

 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  2.68386E-02  2.68386E-02  2.68295E-02  1.96218E-02  1.24217E-02  1.96218E-02  2.20289E-02
   dip-dip  2.67150E-02  2.67150E-02  2.67150E-02  1.95111E-02  1.23072E-02  1.95111E-02  2.19124E-02
   qua-qua  1.23605E-04  1.23605E-04  1.14505E-04  1.10731E-04  1.14505E-04  1.10731E-04  1.16532E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.19524E-04  2.86615E-17  3.83165E-04  2.36914E-17
   dip-dip  0.00000E+00  2.84892E-17  0.00000E+00  2.33751E-17
   qua-qua  1.19524E-04  1.72286E-19  3.83165E-04  3.16244E-19

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

 Energ =  -0.40000 eV

 Vmoy = -20.00700 eV, Vmftabs = -23.26949 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.955E-06  1.652E-08    3.267E-03 -1.825E-05    6.120E-04 -3.428E-06
  1  0    1  1      3.522E-03  4.768E-05   -8.999E-02 -1.217E-03   -1.019E-02 -1.375E-04
  2  0    1  1      2.242E-04 -4.704E-07   -9.365E-03  1.975E-05   -1.792E-03  3.801E-06
  3  0    1  1      3.788E-06 -2.953E-08   -2.090E-04  1.631E-06   -5.141E-05  4.018E-07
  4  0    1  1      8.429E-07 -9.645E-09   -5.712E-05  6.540E-07   -1.687E-05  1.933E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.9111168390E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9111168390E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0986291795E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  4.1308573616E-05  0.0000000000E+00 -2.6784515201E-06
  0.0000000000E+00  2.2833708092E-07 -1.5292136204E-06
 -2.6784515201E-06 -1.5292136204E-06  2.0100584662E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.0540118268E-05 -1.5292136204E-06
  2.0540118268E-05  0.0000000000E+00  2.6784515201E-06
 -1.5292136204E-06  2.6784515201E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -2.6784515201E-06 -1.5292136204E-06  1.8136977931E-05
 -1.5292136204E-06  2.6784515201E-06  0.0000000000E+00
  1.8136977931E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.0540118268E-05 -1.5292136204E-06
  2.0540118268E-05  0.0000000000E+00  2.6784515201E-06
 -1.5292136204E-06  2.6784515201E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.2833708092E-07  0.0000000000E+00  2.6784515201E-06
  0.0000000000E+00  4.1308573616E-05  1.5292136204E-06
  2.6784515201E-06  1.5292136204E-06  2.0100584662E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.5292136204E-06  2.6784515201E-06  0.0000000000E+00
  2.6784515201E-06  1.5292136204E-06  1.8136977931E-05
  0.0000000000E+00  1.8136977931E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -2.6784515201E-06 -1.5292136204E-06  1.8136977931E-05
 -1.5292136204E-06  2.6784515201E-06  0.0000000000E+00
  1.8136977931E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.5292136204E-06  2.6784515201E-06  0.0000000000E+00
  2.6784515201E-06  1.5292136204E-06  1.8136977931E-05
  0.0000000000E+00  1.8136977931E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.0100584662E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0100584662E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.6673990191E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.9466701034E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9466701034E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2591775077E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.4785144170E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3700224855E-06 -9.1752817224E-06
  0.0000000000E+00 -9.1752817224E-06  1.2060350797E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2324070961E-04 -9.1752817224E-06
  1.2324070961E-04  0.0000000000E+00  0.0000000000E+00
 -9.1752817224E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -9.1752817224E-06  1.0882186758E-04
 -9.1752817224E-06  0.0000000000E+00  0.0000000000E+00
  1.0882186758E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2324070961E-04 -9.1752817224E-06
  1.2324070961E-04  0.0000000000E+00  0.0000000000E+00
 -9.1752817224E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.3700224855E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4785144170E-04  9.1752817224E-06
  0.0000000000E+00  9.1752817224E-06  1.2060350797E-04

 Crystal Tensor_qq(ke,je,3,2)
 -9.1752817224E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1752817224E-06  1.0882186758E-04
  0.0000000000E+00  1.0882186758E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -9.1752817224E-06  1.0882186758E-04
 -9.1752817224E-06  0.0000000000E+00  0.0000000000E+00
  1.0882186758E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -9.1752817224E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1752817224E-06  1.0882186758E-04
  0.0000000000E+00  1.0882186758E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.2060350797E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2060350797E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6004394114E-04

 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  2.95899E-02  2.95899E-02  2.95755E-02  2.11459E-02  1.27006E-02  2.11459E-02  2.39574E-02
   dip-dip  2.94667E-02  2.94667E-02  2.94667E-02  2.10292E-02  1.25918E-02  2.10292E-02  2.38417E-02
   qua-qua  1.23241E-04  1.23241E-04  1.08822E-04  1.16672E-04  1.08822E-04  1.16672E-04  1.15722E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.43535E-04  3.35657E-17  4.60139E-04  2.77530E-17
   dip-dip  0.00000E+00  3.33684E-17  0.00000E+00  2.73785E-17
   qua-qua  1.43535E-04  1.97315E-19  4.60139E-04  3.74550E-19

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

 Energ =  -0.20000 eV

 Vmoy = -20.00535 eV, Vmftabs = -23.26616 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.922E-06  1.607E-08    3.230E-03 -1.776E-05    6.051E-04 -3.334E-06
  1  0    1  1      3.632E-03  5.188E-05   -9.280E-02 -1.324E-03   -1.050E-02 -1.497E-04
  2  0    1  1      2.232E-04 -4.461E-07   -9.325E-03  1.873E-05   -1.784E-03  3.606E-06
  3  0    1  1      3.731E-06 -2.857E-08   -2.059E-04  1.578E-06   -5.063E-05  3.887E-07
  4  0    1  1      8.244E-07 -9.285E-09   -5.586E-05  6.296E-07   -1.650E-05  1.861E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.4288235023E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4288235023E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1524331118E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  4.3015599841E-05  0.0000000000E+00 -3.0788619289E-06
  0.0000000000E+00  1.9574817450E-06 -1.5180797376E-06
 -3.0788619289E-06 -1.5180797376E-06  2.3928068198E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.0529059048E-05 -1.5180797376E-06
  2.0529059048E-05  0.0000000000E+00  3.0788619289E-06
 -1.5180797376E-06  3.0788619289E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.0788619289E-06 -1.5180797376E-06  1.7361290453E-05
 -1.5180797376E-06  3.0788619289E-06  0.0000000000E+00
  1.7361290453E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.0529059048E-05 -1.5180797376E-06
  2.0529059048E-05  0.0000000000E+00  3.0788619289E-06
 -1.5180797376E-06  3.0788619289E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.9574817450E-06  0.0000000000E+00  3.0788619289E-06
  0.0000000000E+00  4.3015599841E-05  1.5180797376E-06
  3.0788619289E-06  1.5180797376E-06  2.3928068198E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.5180797376E-06  3.0788619289E-06  0.0000000000E+00
  3.0788619289E-06  1.5180797376E-06  1.7361290453E-05
  0.0000000000E+00  1.7361290453E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.0788619289E-06 -1.5180797376E-06  1.7361290453E-05
 -1.5180797376E-06  3.0788619289E-06  0.0000000000E+00
  1.7361290453E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.5180797376E-06  3.0788619289E-06  0.0000000000E+00
  3.0788619289E-06  1.5180797376E-06  1.7361290453E-05
  0.0000000000E+00  1.7361290453E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.3928068198E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3928068198E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.7229587993E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.2572941014E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2572941014E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2914598671E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.5809359905E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1744890470E-05 -9.1084784254E-06
  0.0000000000E+00 -9.1084784254E-06  1.4356840919E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2317435429E-04 -9.1084784254E-06
  1.2317435429E-04  0.0000000000E+00  0.0000000000E+00
 -9.1084784254E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -9.1084784254E-06  1.0416774272E-04
 -9.1084784254E-06  0.0000000000E+00  0.0000000000E+00
  1.0416774272E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2317435429E-04 -9.1084784254E-06
  1.2317435429E-04  0.0000000000E+00  0.0000000000E+00
 -9.1084784254E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.1744890470E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5809359905E-04  9.1084784254E-06
  0.0000000000E+00  9.1084784254E-06  1.4356840919E-04

 Crystal Tensor_qq(ke,je,3,2)
 -9.1084784254E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1084784254E-06  1.0416774272E-04
  0.0000000000E+00  1.0416774272E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -9.1084784254E-06  1.0416774272E-04
 -9.1084784254E-06  0.0000000000E+00  0.0000000000E+00
  1.0416774272E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -9.1084784254E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1084784254E-06  1.0416774272E-04
  0.0000000000E+00  1.0416774272E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.4356840919E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4356840919E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.2337752796E-04

 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  3.26961E-02  3.26961E-02  3.26771E-02  2.28674E-02  1.30188E-02  2.28674E-02  2.61358E-02
   dip-dip  3.25729E-02  3.25729E-02  3.25729E-02  2.27438E-02  1.29146E-02  2.27438E-02  2.60202E-02
   qua-qua  1.23174E-04  1.23174E-04  1.04168E-04  1.23584E-04  1.04168E-04  1.23584E-04  1.15681E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.64997E-04  3.90915E-17  5.28941E-04  3.23212E-17
   dip-dip  0.00000E+00  3.88733E-17  0.00000E+00  3.18952E-17
   qua-qua  1.64997E-04  2.18204E-19  5.28941E-04  4.26011E-19

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

 Energ =   0.00000 eV

 Vmoy = -20.00370 eV, Vmftabs = -23.26285 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.889E-06  1.564E-08    3.194E-03 -1.728E-05    5.984E-04 -3.245E-06
  1  0    1  1      3.751E-03  5.658E-05   -9.585E-02 -1.444E-03   -1.085E-02 -1.632E-04
  2  0    1  1      2.223E-04 -4.226E-07   -9.287E-03  1.775E-05   -1.776E-03  3.418E-06
  3  0    1  1      3.676E-06 -2.765E-08   -2.028E-04  1.527E-06   -4.989E-05  3.762E-07
  4  0    1  1      8.065E-07 -8.942E-09   -5.464E-05  6.064E-07   -1.614E-05  1.793E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.9872197134E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9872197134E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2091846339E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  4.5123053546E-05  0.0000000000E+00 -3.4427648579E-06
  0.0000000000E+00  4.0290061618E-06 -1.4917488312E-06
 -3.4427648579E-06 -1.4917488312E-06  2.8544494020E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.0547023692E-05 -1.4917488312E-06
  2.0547023692E-05  0.0000000000E+00  3.4427648579E-06
 -1.4917488312E-06  3.4427648579E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.4427648579E-06 -1.4917488312E-06  1.6728848920E-05
 -1.4917488312E-06  3.4427648579E-06  0.0000000000E+00
  1.6728848920E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.0547023692E-05 -1.4917488312E-06
  2.0547023692E-05  0.0000000000E+00  3.4427648579E-06
 -1.4917488312E-06  3.4427648579E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  4.0290061618E-06  0.0000000000E+00  3.4427648579E-06
  0.0000000000E+00  4.5123053546E-05  1.4917488312E-06
  3.4427648579E-06  1.4917488312E-06  2.8544494020E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.4917488312E-06  3.4427648579E-06  0.0000000000E+00
  3.4427648579E-06  1.4917488312E-06  1.6728848920E-05
  0.0000000000E+00  1.6728848920E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.4427648579E-06 -1.4917488312E-06  1.6728848920E-05
 -1.4917488312E-06  3.4427648579E-06  0.0000000000E+00
  1.6728848920E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.4917488312E-06  3.4427648579E-06  0.0000000000E+00
  3.4427648579E-06  1.4917488312E-06  1.6728848920E-05
  0.0000000000E+00  1.6728848920E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.8544494020E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8544494020E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.9361810632E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.5923318280E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5923318280E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3255107803E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.7073832128E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4174036971E-05 -8.9504929869E-06
  0.0000000000E+00 -8.9504929869E-06  1.7126696412E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2328214215E-04 -8.9504929869E-06
  1.2328214215E-04  0.0000000000E+00  0.0000000000E+00
 -8.9504929869E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -8.9504929869E-06  1.0037309352E-04
 -8.9504929869E-06  0.0000000000E+00  0.0000000000E+00
  1.0037309352E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2328214215E-04 -8.9504929869E-06
  1.2328214215E-04  0.0000000000E+00  0.0000000000E+00
 -8.9504929869E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.4174036971E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7073832128E-04  8.9504929869E-06
  0.0000000000E+00  8.9504929869E-06  1.7126696412E-04

 Crystal Tensor_qq(ke,je,3,2)
 -8.9504929869E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9504929869E-06  1.0037309352E-04
  0.0000000000E+00  1.0037309352E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -8.9504929869E-06  1.0037309352E-04
 -8.9504929869E-06  0.0000000000E+00  0.0000000000E+00
  1.0037309352E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -8.9504929869E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9504929869E-06  1.0037309352E-04
  0.0000000000E+00  1.0037309352E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.7126696412E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7126696412E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9617086379E-04

 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  3.60466E-02  3.60466E-02  3.60237E-02  2.47203E-02  1.33555E-02  2.47203E-02  2.84834E-02
   dip-dip  3.59233E-02  3.59233E-02  3.59233E-02  2.45892E-02  1.32551E-02  2.45892E-02  2.83672E-02
   qua-qua  1.23282E-04  1.23282E-04  1.00373E-04  1.31094E-04  1.00373E-04  1.31094E-04  1.16202E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.84503E-04  4.50625E-17  5.91474E-04  3.72519E-17
   dip-dip  0.00000E+00  4.48264E-17  0.00000E+00  3.67796E-17
   qua-qua  1.84503E-04  2.36090E-19  5.91474E-04  4.72331E-19

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

 Energ =   0.50000 eV

 Vmoy = -19.99982 eV, Vmftabs = -23.25464 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.813E-06  1.463E-08    3.109E-03 -1.616E-05    5.825E-04 -3.035E-06
  1  0    1  1      4.100E-03  7.117E-05   -1.047E-01 -1.817E-03   -1.185E-02 -2.054E-04
  2  0    1  1      2.202E-04 -3.672E-07   -9.199E-03  1.544E-05   -1.760E-03  2.976E-06
  3  0    1  1      3.546E-06 -2.552E-08   -1.956E-04  1.410E-06   -4.811E-05  3.473E-07
  4  0    1  1      7.645E-07 -8.157E-09   -5.180E-05  5.531E-07   -1.530E-05  1.635E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.3113790593E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3113790593E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3330922408E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  5.1958588831E-05  0.0000000000E+00 -4.2413230979E-06
  0.0000000000E+00  1.0689193662E-05 -1.4317003622E-06
 -4.2413230979E-06 -1.4317003622E-06  4.3345766308E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.0634697584E-05 -1.4317003622E-06
  2.0634697584E-05  0.0000000000E+00  4.2413230979E-06
 -1.4317003622E-06  4.2413230979E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -4.2413230979E-06 -1.4317003622E-06  1.5595189733E-05
 -1.4317003622E-06  4.2413230979E-06  0.0000000000E+00
  1.5595189733E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.0634697584E-05 -1.4317003622E-06
  2.0634697584E-05  0.0000000000E+00  4.2413230979E-06
 -1.4317003622E-06  4.2413230979E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.0689193662E-05  0.0000000000E+00  4.2413230979E-06
  0.0000000000E+00  5.1958588831E-05  1.4317003622E-06
  4.2413230979E-06  1.4317003622E-06  4.3345766308E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.4317003622E-06  4.2413230979E-06  0.0000000000E+00
  4.2413230979E-06  1.4317003622E-06  1.5595189733E-05
  0.0000000000E+00  1.5595189733E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -4.2413230979E-06 -1.4317003622E-06  1.5595189733E-05
 -1.4317003622E-06  4.2413230979E-06  0.0000000000E+00
  1.5595189733E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.4317003622E-06  4.2413230979E-06  0.0000000000E+00
  4.2413230979E-06  1.4317003622E-06  1.5595189733E-05
  0.0000000000E+00  1.5595189733E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  4.3345766308E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3345766308E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3306912490E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.3868274356E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3868274356E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3998553445E-02

 Crystal Tensor_qq(ke,je,1,1)
  3.1175153299E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.4135161974E-05 -8.5902021733E-06
  0.0000000000E+00 -8.5902021733E-06  2.6007459785E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2380818551E-04 -8.5902021733E-06
  1.2380818551E-04  0.0000000000E+00  0.0000000000E+00
 -8.5902021733E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -8.5902021733E-06  9.3571138396E-05
 -8.5902021733E-06  0.0000000000E+00  0.0000000000E+00
  9.3571138396E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2380818551E-04 -8.5902021733E-06
  1.2380818551E-04  0.0000000000E+00  0.0000000000E+00
 -8.5902021733E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  6.4135161974E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1175153299E-04  8.5902021733E-06
  0.0000000000E+00  8.5902021733E-06  2.6007459785E-04

 Crystal Tensor_qq(ke,je,3,2)
 -8.5902021733E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5902021733E-06  9.3571138396E-05
  0.0000000000E+00  9.3571138396E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -8.5902021733E-06  9.3571138396E-05
 -8.5902021733E-06  0.0000000000E+00  0.0000000000E+00
  9.3571138396E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -8.5902021733E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5902021733E-06  9.3571138396E-05
  0.0000000000E+00  9.3571138396E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  2.6007459785E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6007459785E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.9841474940E-04

 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  4.39921E-02  4.39921E-02  4.39618E-02  2.90809E-02  1.40921E-02  2.90809E-02  3.40297E-02
   dip-dip  4.38683E-02  4.38683E-02  4.38683E-02  2.89334E-02  1.39986E-02  2.89334E-02  3.39117E-02
   qua-qua  1.23808E-04  1.23808E-04  9.35711E-05  1.47504E-04  9.35711E-05  1.47504E-04  1.18032E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.27314E-04  5.93449E-17  7.28715E-04  4.90408E-17
   dip-dip  0.00000E+00  5.90712E-17  0.00000E+00  4.84673E-17
   qua-qua  2.27314E-04  2.73695E-19  7.28715E-04  5.73474E-19

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

 Energ =   1.00000 eV

 Vmoy = -19.99631 eV, Vmftabs = -23.24654 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.740E-06  1.370E-08    3.030E-03 -1.514E-05    5.676E-04 -2.843E-06
  1  0    1  1      4.541E-03  9.161E-05   -1.160E-01 -2.339E-03   -1.313E-02 -2.644E-04
  2  0    1  1      2.183E-04 -3.162E-07   -9.121E-03  1.330E-05   -1.745E-03  2.567E-06
  3  0    1  1      3.425E-06 -2.361E-08   -1.889E-04  1.304E-06   -4.647E-05  3.213E-07
  4  0    1  1      7.262E-07 -7.462E-09   -4.920E-05  5.060E-07   -1.453E-05  1.496E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.0703978729E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0703978729E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4069898984E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  5.8423046002E-05  0.0000000000E+00 -4.8964032376E-06
  0.0000000000E+00  1.7070552828E-05 -1.4511924473E-06
 -4.8964032376E-06 -1.4511924473E-06  5.6974688774E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.0676246587E-05 -1.4511924473E-06
  2.0676246587E-05  0.0000000000E+00  4.8964032376E-06
 -1.4511924473E-06  4.8964032376E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -4.8964032376E-06 -1.4511924473E-06  1.4806294037E-05
 -1.4511924473E-06  4.8964032376E-06  0.0000000000E+00
  1.4806294037E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.0676246587E-05 -1.4511924473E-06
  2.0676246587E-05  0.0000000000E+00  4.8964032376E-06
 -1.4511924473E-06  4.8964032376E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.7070552828E-05  0.0000000000E+00  4.8964032376E-06
  0.0000000000E+00  5.8423046002E-05  1.4511924473E-06
  4.8964032376E-06  1.4511924473E-06  5.6974688774E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.4511924473E-06  4.8964032376E-06  0.0000000000E+00
  4.8964032376E-06  1.4511924473E-06  1.4806294037E-05
  0.0000000000E+00  1.4806294037E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -4.8964032376E-06 -1.4511924473E-06  1.4806294037E-05
 -1.4511924473E-06  4.8964032376E-06  0.0000000000E+00
  1.4806294037E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.4511924473E-06  4.8964032376E-06  0.0000000000E+00
  4.8964032376E-06  1.4511924473E-06  1.4806294037E-05
  0.0000000000E+00  1.4806294037E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  5.6974688774E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.6974688774E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5509297307E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.8422387238E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8422387238E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4441939390E-02

 Crystal Tensor_qq(ke,je,1,1)
  3.5053827601E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0242331697E-04 -8.7071546839E-06
  0.0000000000E+00 -8.7071546839E-06  3.4184813265E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2405747952E-04 -8.7071546839E-06
  1.2405747952E-04  0.0000000000E+00  0.0000000000E+00
 -8.7071546839E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -8.7071546839E-06  8.8837764221E-05
 -8.7071546839E-06  0.0000000000E+00  0.0000000000E+00
  8.8837764221E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2405747952E-04 -8.7071546839E-06
  1.2405747952E-04  0.0000000000E+00  0.0000000000E+00
 -8.7071546839E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.0242331697E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5053827601E-04  8.7071546839E-06
  0.0000000000E+00  8.7071546839E-06  3.4184813265E-04

 Crystal Tensor_qq(ke,je,3,2)
 -8.7071546839E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7071546839E-06  8.8837764221E-05
  0.0000000000E+00  8.8837764221E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -8.7071546839E-06  8.8837764221E-05
 -8.7071546839E-06  0.0000000000E+00  0.0000000000E+00
  8.8837764221E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -8.7071546839E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7071546839E-06  8.8837764221E-05
  0.0000000000E+00  8.8837764221E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.4184813265E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4184813265E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.3055783843E-04

 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  4.85464E-02  4.85464E-02  4.85112E-02  3.15815E-02  1.45308E-02  3.15815E-02  3.72123E-02
   dip-dip  4.84224E-02  4.84224E-02  4.84224E-02  3.14322E-02  1.44419E-02  3.14322E-02  3.70956E-02
   qua-qua  1.24057E-04  1.24057E-04  8.88378E-05  1.49350E-04  8.88378E-05  1.49350E-04  1.16714E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.62440E-04  6.75113E-17  8.41321E-04  5.57985E-17
   dip-dip  0.00000E+00  6.72050E-17  0.00000E+00  5.51411E-17
   qua-qua  2.62440E-04  3.06330E-19  8.41321E-04  6.57410E-19

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

 Energ =   1.50000 eV

 Vmoy = -19.99311 eV, Vmftabs = -23.23854 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.673E-06  1.286E-08    2.955E-03 -1.420E-05    5.536E-04 -2.668E-06
  1  0    1  1      5.117E-03  1.216E-04   -1.307E-01 -3.104E-03   -1.479E-02 -3.509E-04
  2  0    1  1      2.167E-04 -2.691E-07   -9.054E-03  1.133E-05   -1.732E-03  2.190E-06
  3  0    1  1      3.313E-06 -2.188E-08   -1.828E-04  1.209E-06   -4.496E-05  2.978E-07
  4  0    1  1      6.910E-07 -6.843E-09   -4.682E-05  4.640E-07   -1.383E-05  1.372E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.2198221605E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.2198221605E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4805715301E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  6.0480762051E-05  0.0000000000E+00 -5.3250549950E-06
  0.0000000000E+00  1.9525573272E-05 -1.5300480527E-06
 -5.3250549950E-06 -1.5300480527E-06  5.9945775350E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.0477594390E-05 -1.5300480527E-06
  2.0477594390E-05  0.0000000000E+00  5.3250549950E-06
 -1.5300480527E-06  5.3250549950E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -5.3250549950E-06 -1.5300480527E-06  1.4086602633E-05
 -1.5300480527E-06  5.3250549950E-06  0.0000000000E+00
  1.4086602633E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.0477594390E-05 -1.5300480527E-06
  2.0477594390E-05  0.0000000000E+00  5.3250549950E-06
 -1.5300480527E-06  5.3250549950E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.9525573272E-05  0.0000000000E+00  5.3250549950E-06
  0.0000000000E+00  6.0480762051E-05  1.5300480527E-06
  5.3250549950E-06  1.5300480527E-06  5.9945775350E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.5300480527E-06  5.3250549950E-06  0.0000000000E+00
  5.3250549950E-06  1.5300480527E-06  1.4086602633E-05
  0.0000000000E+00  1.4086602633E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -5.3250549950E-06 -1.5300480527E-06  1.4086602633E-05
 -1.5300480527E-06  5.3250549950E-06  0.0000000000E+00
  1.4086602633E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.5300480527E-06  5.3250549950E-06  0.0000000000E+00
  5.3250549950E-06  1.5300480527E-06  1.4086602633E-05
  0.0000000000E+00  1.4086602633E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  5.9945775350E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9945775350E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4897587583E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.9318932963E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9318932963E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4883429181E-02

 Crystal Tensor_qq(ke,je,1,1)
  3.6288457231E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1715343963E-04 -9.1802883162E-06
  0.0000000000E+00 -9.1802883162E-06  3.5967465210E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2286556634E-04 -9.1802883162E-06
  1.2286556634E-04  0.0000000000E+00  0.0000000000E+00
 -9.1802883162E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -9.1802883162E-06  8.4519615795E-05
 -9.1802883162E-06  0.0000000000E+00  0.0000000000E+00
  8.4519615795E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2286556634E-04 -9.1802883162E-06
  1.2286556634E-04  0.0000000000E+00  0.0000000000E+00
 -9.1802883162E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.1715343963E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6288457231E-04  9.1802883162E-06
  0.0000000000E+00  9.1802883162E-06  3.5967465210E-04

 Crystal Tensor_qq(ke,je,3,2)
 -9.1802883162E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1802883162E-06  8.4519615795E-05
  0.0000000000E+00  8.4519615795E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -9.1802883162E-06  8.4519615795E-05
 -9.1802883162E-06  0.0000000000E+00  0.0000000000E+00
  8.4519615795E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -9.1802883162E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1802883162E-06  8.4519615795E-05
  0.0000000000E+00  8.4519615795E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.5967465210E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5967465210E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.9385525496E-04

 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  4.94418E-02  4.94418E-02  4.94035E-02  3.22355E-02  1.49679E-02  3.22355E-02  3.79510E-02
   dip-dip  4.93189E-02  4.93189E-02  4.93189E-02  3.21012E-02  1.48834E-02  3.21012E-02  3.78404E-02
   qua-qua  1.22866E-04  1.22866E-04  8.45196E-05  1.34348E-04  8.45196E-05  1.34348E-04  1.10589E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.85434E-04  6.84398E-17  9.15033E-04  5.65966E-17
   dip-dip  0.00000E+00  6.81094E-17  0.00000E+00  5.58831E-17
   qua-qua  2.85434E-04  3.30342E-19  9.15033E-04  7.13486E-19

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

 Energ =   2.00000 eV

 Vmoy = -19.99041 eV, Vmftabs = -23.23203 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.609E-06  1.208E-08    2.885E-03 -1.335E-05    5.404E-04 -2.508E-06
  1  0    1  1      5.899E-03  1.683E-04   -1.507E-01 -4.298E-03   -1.705E-02 -4.860E-04
  2  0    1  1      2.154E-04 -2.253E-07   -8.996E-03  9.503E-06   -1.721E-03  1.840E-06
  3  0    1  1      3.210E-06 -2.032E-08   -1.770E-04  1.123E-06   -4.355E-05  2.766E-07
  4  0    1  1      6.587E-07 -6.291E-09   -4.463E-05  4.266E-07   -1.318E-05  1.261E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.1534690275E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.1534690275E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6136429307E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  6.0461039874E-05  0.0000000000E+00 -5.5120064042E-06
  0.0000000000E+00  2.0551141453E-05 -1.6047544574E-06
 -5.5120064042E-06 -1.6047544574E-06  5.7160304382E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.9954949211E-05 -1.6047544574E-06
  1.9954949211E-05  0.0000000000E+00  5.5120064042E-06
 -1.6047544574E-06  5.5120064042E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -5.5120064042E-06 -1.6047544574E-06  1.3336934636E-05
 -1.6047544574E-06  5.5120064042E-06  0.0000000000E+00
  1.3336934636E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.9954949211E-05 -1.6047544574E-06
  1.9954949211E-05  0.0000000000E+00  5.5120064042E-06
 -1.6047544574E-06  5.5120064042E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.0551141453E-05  0.0000000000E+00  5.5120064042E-06
  0.0000000000E+00  6.0461039874E-05  1.6047544574E-06
  5.5120064042E-06  1.6047544574E-06  5.7160304382E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.6047544574E-06  5.5120064042E-06  0.0000000000E+00
  5.5120064042E-06  1.6047544574E-06  1.3336934636E-05
  0.0000000000E+00  1.3336934636E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -5.5120064042E-06 -1.6047544574E-06  1.3336934636E-05
 -1.6047544574E-06  5.5120064042E-06  0.0000000000E+00
  1.3336934636E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.6047544574E-06  5.5120064042E-06  0.0000000000E+00
  5.5120064042E-06  1.6047544574E-06  1.3336934636E-05
  0.0000000000E+00  1.3336934636E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  5.7160304382E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7160304382E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3119773395E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.8920814165E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8920814165E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5681857584E-02

 Crystal Tensor_qq(ke,je,1,1)
  3.6276623924E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2330684872E-04 -9.6285267443E-06
  0.0000000000E+00 -9.6285267443E-06  3.4296182629E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.1972969526E-04 -9.6285267443E-06
  1.1972969526E-04  0.0000000000E+00  0.0000000000E+00
 -9.6285267443E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -9.6285267443E-06  8.0021607815E-05
 -9.6285267443E-06  0.0000000000E+00  0.0000000000E+00
  8.0021607815E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.1972969526E-04 -9.6285267443E-06
  1.1972969526E-04  0.0000000000E+00  0.0000000000E+00
 -9.6285267443E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.2330684872E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6276623924E-04  9.6285267443E-06
  0.0000000000E+00  9.6285267443E-06  3.4296182629E-04

 Crystal Tensor_qq(ke,je,3,2)
 -9.6285267443E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.6285267443E-06  8.0021607815E-05
  0.0000000000E+00  8.0021607815E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -9.6285267443E-06  8.0021607815E-05
 -9.6285267443E-06  0.0000000000E+00  0.0000000000E+00
  8.0021607815E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -9.6285267443E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.6285267443E-06  8.0021607815E-05
  0.0000000000E+00  8.0021607815E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.4296182629E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4296182629E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.8718640371E-04

 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  4.90405E-02  4.90405E-02  4.90008E-02  3.24173E-02  1.57619E-02  3.24173E-02  3.79440E-02
   dip-dip  4.89208E-02  4.89208E-02  4.89208E-02  3.23013E-02  1.56819E-02  3.23013E-02  3.78412E-02
   qua-qua  1.19730E-04  1.19730E-04  8.00216E-05  1.16007E-04  8.00216E-05  1.16007E-04  1.02854E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.95474E-04  6.60896E-17  9.47219E-04  5.46835E-17
   dip-dip  0.00000E+00  6.57471E-17  0.00000E+00  5.39448E-17
   qua-qua  2.95474E-04  3.42539E-19  9.47219E-04  7.38687E-19

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

 Energ =   2.50000 eV

 Vmoy = -19.98811 eV, Vmftabs = -23.22618 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.549E-06  1.137E-08    2.818E-03 -1.256E-05    5.280E-04 -2.360E-06
  1  0    1  1      7.019E-03  2.476E-04   -1.793E-01 -6.322E-03   -2.029E-02 -7.149E-04
  2  0    1  1      2.142E-04 -1.847E-07   -8.946E-03  7.804E-06   -1.711E-03  1.515E-06
  3  0    1  1      3.113E-06 -1.891E-08   -1.717E-04  1.045E-06   -4.224E-05  2.574E-07
  4  0    1  1      6.290E-07 -5.797E-09   -4.261E-05  3.931E-07   -1.259E-05  1.162E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.3718655409E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3718655409E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8395907768E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  6.2576339837E-05  0.0000000000E+00 -5.6756744537E-06
  0.0000000000E+00  2.3682975557E-05 -1.6934821192E-06
 -5.6756744537E-06 -1.6934821192E-06  5.7073447228E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.9446682140E-05 -1.6934821192E-06
  1.9446682140E-05  0.0000000000E+00  5.6756744537E-06
 -1.6934821192E-06  5.6756744537E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -5.6756744537E-06 -1.6934821192E-06  1.2665416137E-05
 -1.6934821192E-06  5.6756744537E-06  0.0000000000E+00
  1.2665416137E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.9446682140E-05 -1.6934821192E-06
  1.9446682140E-05  0.0000000000E+00  5.6756744537E-06
 -1.6934821192E-06  5.6756744537E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.3682975557E-05  0.0000000000E+00  5.6756744537E-06
  0.0000000000E+00  6.2576339837E-05  1.6934821192E-06
  5.6756744537E-06  1.6934821192E-06  5.7073447228E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.6934821192E-06  5.6756744537E-06  0.0000000000E+00
  5.6756744537E-06  1.6934821192E-06  1.2665416137E-05
  0.0000000000E+00  1.2665416137E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -5.6756744537E-06 -1.6934821192E-06  1.2665416137E-05
 -1.6934821192E-06  5.6756744537E-06  0.0000000000E+00
  1.2665416137E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.6934821192E-06  5.6756744537E-06  0.0000000000E+00
  5.6756744537E-06  1.6934821192E-06  1.2665416137E-05
  0.0000000000E+00  1.2665416137E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  5.7073447228E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7073447228E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2104102343E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.0231193246E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0231193246E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7037544661E-02

 Crystal Tensor_qq(ke,je,1,1)
  3.7545803902E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4209785334E-04 -1.0160892715E-05
  0.0000000000E+00 -1.0160892715E-05  3.4244068337E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.1668009284E-04 -1.0160892715E-05
  1.1668009284E-04  0.0000000000E+00  0.0000000000E+00
 -1.0160892715E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.0160892715E-05  7.5992496822E-05
 -1.0160892715E-05  0.0000000000E+00  0.0000000000E+00
  7.5992496822E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.1668009284E-04 -1.0160892715E-05
  1.1668009284E-04  0.0000000000E+00  0.0000000000E+00
 -1.0160892715E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.4209785334E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7545803902E-04  1.0160892715E-05
  0.0000000000E+00  1.0160892715E-05  3.4244068337E-04

 Crystal Tensor_qq(ke,je,3,2)
 -1.0160892715E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0160892715E-05  7.5992496822E-05
  0.0000000000E+00  7.5992496822E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.0160892715E-05  7.5992496822E-05
 -1.0160892715E-05  0.0000000000E+00  0.0000000000E+00
  7.5992496822E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.0160892715E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0160892715E-05  7.5992496822E-05
  0.0000000000E+00  7.5992496822E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.4244068337E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4244068337E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.2624614056E-04

 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  5.03479E-02  5.03479E-02  5.03072E-02  3.37386E-02  1.71135E-02  3.37386E-02  3.92637E-02
   dip-dip  5.02312E-02  5.02312E-02  5.02312E-02  3.36344E-02  1.70375E-02  3.36344E-02  3.91666E-02
   qua-qua  1.16680E-04  1.16680E-04  7.59925E-05  1.04206E-04  7.59925E-05  1.04206E-04  9.70786E-05

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  3.04267E-04  6.60159E-17  9.75408E-04  5.46361E-17
   dip-dip  0.00000E+00  6.56617E-17  0.00000E+00  5.38748E-17
   qua-qua  3.04267E-04  3.54253E-19  9.75408E-04  7.61344E-19

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

 Energ =   3.00000 eV

 Vmoy = -19.98620 eV, Vmftabs = -23.22040 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.493E-06  1.071E-08    2.756E-03 -1.183E-05    5.163E-04 -2.223E-06
  1  0    1  1      8.744E-03  3.984E-04   -2.233E-01 -1.017E-02   -2.527E-02 -1.150E-03
  2  0    1  1      2.132E-04 -1.467E-07   -8.904E-03  6.219E-06   -1.703E-03  1.212E-06
  3  0    1  1      3.024E-06 -1.763E-08   -1.668E-04  9.737E-07   -4.102E-05  2.400E-07
  4  0    1  1      6.017E-07 -5.354E-09   -4.076E-05  3.630E-07   -1.204E-05  1.074E-07

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.2089601428E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2089601428E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1895558201E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  6.8970322912E-05  0.0000000000E+00 -6.0585748284E-06
  0.0000000000E+00  3.0235691980E-05 -1.8650223055E-06
 -6.0585748284E-06 -1.8650223055E-06  6.2652211148E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.9367315466E-05 -1.8650223055E-06
  1.9367315466E-05  0.0000000000E+00  6.0585748284E-06
 -1.8650223055E-06  6.0585748284E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -6.0585748284E-06 -1.8650223055E-06  1.2209047311E-05
 -1.8650223055E-06  6.0585748284E-06  0.0000000000E+00
  1.2209047311E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.9367315466E-05 -1.8650223055E-06
  1.9367315466E-05  0.0000000000E+00  6.0585748284E-06
 -1.8650223055E-06  6.0585748284E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.0235691980E-05  0.0000000000E+00  6.0585748284E-06
  0.0000000000E+00  6.8970322912E-05  1.8650223055E-06
  6.0585748284E-06  1.8650223055E-06  6.2652211148E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.8650223055E-06  6.0585748284E-06  0.0000000000E+00
  6.0585748284E-06  1.8650223055E-06  1.2209047311E-05
  0.0000000000E+00  1.2209047311E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -6.0585748284E-06 -1.8650223055E-06  1.2209047311E-05
 -1.8650223055E-06  6.0585748284E-06  0.0000000000E+00
  1.2209047311E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.8650223055E-06  6.0585748284E-06  0.0000000000E+00
  6.0585748284E-06  1.8650223055E-06  1.2209047311E-05
  0.0000000000E+00  1.2209047311E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  6.2652211148E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2652211148E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2317265014E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.5253760857E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.5253760857E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9137334921E-02

 Crystal Tensor_qq(ke,je,1,1)
  4.1382193747E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8141415188E-04 -1.1190133833E-05
  0.0000000000E+00 -1.1190133833E-05  3.7591326689E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.1620389280E-04 -1.1190133833E-05
  1.1620389280E-04  0.0000000000E+00  0.0000000000E+00
 -1.1190133833E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.1190133833E-05  7.3254283864E-05
 -1.1190133833E-05  0.0000000000E+00  0.0000000000E+00
  7.3254283864E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.1620389280E-04 -1.1190133833E-05
  1.1620389280E-04  0.0000000000E+00  0.0000000000E+00
 -1.1190133833E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.8141415188E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1382193747E-04  1.1190133833E-05
  0.0000000000E+00  1.1190133833E-05  3.7591326689E-04

 Crystal Tensor_qq(ke,je,3,2)
 -1.1190133833E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1190133833E-05  7.3254283864E-05
  0.0000000000E+00  7.3254283864E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.1190133833E-05  7.3254283864E-05
 -1.1190133833E-05  0.0000000000E+00  0.0000000000E+00
  7.3254283864E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.1190133833E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1190133833E-05  7.3254283864E-05
  0.0000000000E+00  7.3254283864E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.7591326689E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7591326689E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.3903590085E-04

 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  5.53700E-02  5.53700E-02  5.53270E-02  3.72958E-02  1.92106E-02  3.72958E-02  4.33097E-02
   dip-dip  5.52538E-02  5.52538E-02  5.52538E-02  3.71955E-02  1.91373E-02  3.71955E-02  4.32150E-02
   qua-qua  1.16204E-04  1.16204E-04  7.32543E-05  1.00258E-04  7.32543E-05  1.00258E-04  9.47718E-05

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  3.24815E-04  7.18283E-17  1.04128E-03  5.94363E-17
   dip-dip  0.00000E+00  7.14480E-17  0.00000E+00  5.86224E-17
   qua-qua  3.24815E-04  3.80335E-19  1.04128E-03  8.13864E-19

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

 Energ =   3.50000 eV

 Vmoy = -19.98464 eV, Vmftabs = -23.21468 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.439E-06  1.011E-08    2.697E-03 -1.116E-05    5.052E-04 -2.098E-06
  1  0    1  1      1.173E-02  7.420E-04   -2.996E-01 -1.895E-02   -3.390E-02 -2.143E-03
  2  0    1  1      2.124E-04 -1.113E-07   -8.869E-03  4.738E-06   -1.697E-03  9.285E-07
  3  0    1  1      2.940E-06 -1.646E-08   -1.622E-04  9.091E-07   -3.989E-05  2.241E-07
  4  0    1  1      5.764E-07 -4.956E-09   -3.904E-05  3.360E-07   -1.153E-05  9.937E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.0800981621E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0800981621E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7241373754E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  8.1719647130E-05  0.0000000000E+00 -6.8101389842E-06
  0.0000000000E+00  4.1742034508E-05 -2.1735469143E-06
 -6.8101389842E-06 -2.1735469143E-06  7.5848095437E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  1.9988806311E-05 -2.1735469143E-06
  1.9988806311E-05  0.0000000000E+00  6.8101389842E-06
 -2.1735469143E-06  6.8101389842E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -6.8101389842E-06 -2.1735469143E-06  1.2059806892E-05
 -2.1735469143E-06  6.8101389842E-06  0.0000000000E+00
  1.2059806892E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  1.9988806311E-05 -2.1735469143E-06
  1.9988806311E-05  0.0000000000E+00  6.8101389842E-06
 -2.1735469143E-06  6.8101389842E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  4.1742034508E-05  0.0000000000E+00  6.8101389842E-06
  0.0000000000E+00  8.1719647130E-05  2.1735469143E-06
  6.8101389842E-06  2.1735469143E-06  7.5848095437E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -2.1735469143E-06  6.8101389842E-06  0.0000000000E+00
  6.8101389842E-06  2.1735469143E-06  1.2059806892E-05
  0.0000000000E+00  1.2059806892E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -6.8101389842E-06 -2.1735469143E-06  1.2059806892E-05
 -2.1735469143E-06  6.8101389842E-06  0.0000000000E+00
  1.2059806892E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -2.1735469143E-06  6.8101389842E-06  0.0000000000E+00
  6.8101389842E-06  2.1735469143E-06  1.2059806892E-05
  0.0000000000E+00  1.2059806892E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  7.5848095437E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5848095437E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3900170978E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.4805889724E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.4805889724E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2344824252E-02

 Crystal Tensor_qq(ke,je,1,1)
  4.9031788278E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5045220705E-04 -1.3041281486E-05
  0.0000000000E+00 -1.3041281486E-05  4.5508857262E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.1993283787E-04 -1.3041281486E-05
  1.1993283787E-04  0.0000000000E+00  0.0000000000E+00
 -1.3041281486E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.3041281486E-05  7.2358841352E-05
 -1.3041281486E-05  0.0000000000E+00  0.0000000000E+00
  7.2358841352E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.1993283787E-04 -1.3041281486E-05
  1.1993283787E-04  0.0000000000E+00  0.0000000000E+00
 -1.3041281486E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.5045220705E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9031788278E-04  1.3041281486E-05
  0.0000000000E+00  1.3041281486E-05  4.5508857262E-04

 Crystal Tensor_qq(ke,je,3,2)
 -1.3041281486E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3041281486E-05  7.2358841352E-05
  0.0000000000E+00  7.2358841352E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.3041281486E-05  7.2358841352E-05
 -1.3041281486E-05  0.0000000000E+00  0.0000000000E+00
  7.2358841352E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.3041281486E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3041281486E-05  7.2358841352E-05
  0.0000000000E+00  7.2358841352E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.5508857262E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5508857262E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.3401025870E-04

 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  6.49258E-02  6.49258E-02  6.48782E-02  4.36789E-02  2.24172E-02  4.36789E-02  5.07487E-02
   dip-dip  6.48059E-02  6.48059E-02  6.48059E-02  4.35754E-02  2.23448E-02  4.35754E-02  5.06522E-02
   qua-qua  1.19933E-04  1.19933E-04  7.23588E-05  1.03538E-04  7.23588E-05  1.03538E-04  9.65312E-05

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  3.65132E-04  8.44354E-17  1.17053E-03  6.98417E-17
   dip-dip  0.00000E+00  8.40048E-17  0.00000E+00  6.89252E-17
   qua-qua  3.65132E-04  4.30542E-19  1.17053E-03  9.16478E-19

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

 Energ =   4.00000 eV

 Vmoy = -19.98347 eV, Vmftabs = -23.20903 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.389E-06  9.544E-09    2.641E-03 -1.054E-05    4.947E-04 -1.981E-06
  1  0    1  1      1.810E-02  1.834E-03   -4.623E-01 -4.682E-02   -5.231E-02 -5.297E-03
  2  0    1  1      2.117E-04 -7.807E-08   -8.841E-03  3.350E-06   -1.691E-03  6.630E-07
  3  0    1  1      2.862E-06 -1.539E-08   -1.579E-04  8.501E-07   -3.883E-05  2.095E-07
  4  0    1  1      5.530E-07 -4.596E-09   -3.746E-05  3.116E-07   -1.106E-05  9.217E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 3

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3214381122E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3214381122E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.5548231223E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.0506441889E-04  0.0000000000E+00 -8.0247185629E-06
  0.0000000000E+00  6.2110966304E-05 -2.6578043398E-06
 -8.0247185629E-06 -2.6578043398E-06  1.0118536679E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.1476726295E-05 -2.6578043398E-06
  2.1476726295E-05  0.0000000000E+00  8.0247185629E-06
 -2.6578043398E-06  8.0247185629E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -8.0247185629E-06 -2.6578043398E-06  1.2276858593E-05
 -2.6578043398E-06  8.0247185629E-06  0.0000000000E+00
  1.2276858593E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.1476726295E-05 -2.6578043398E-06
  2.1476726295E-05  0.0000000000E+00  8.0247185629E-06
 -2.6578043398E-06  8.0247185629E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  6.2110966304E-05  0.0000000000E+00  8.0247185629E-06
  0.0000000000E+00  1.0506441889E-04  2.6578043398E-06
  8.0247185629E-06  2.6578043398E-06  1.0118536679E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -2.6578043398E-06  8.0247185629E-06  0.0000000000E+00
  8.0247185629E-06  2.6578043398E-06  1.2276858593E-05
  0.0000000000E+00  1.2276858593E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -8.0247185629E-06 -2.6578043398E-06  1.2276858593E-05
 -2.6578043398E-06  8.0247185629E-06  0.0000000000E+00
  1.2276858593E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -2.6578043398E-06  8.0247185629E-06  0.0000000000E+00
  8.0247185629E-06  2.6578043398E-06  1.2276858593E-05
  0.0000000000E+00  1.2276858593E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.0118536679E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0118536679E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7330659531E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  7.9286286733E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9286286733E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7328938734E-02

 Crystal Tensor_qq(ke,je,1,1)
  6.3038651336E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7266579782E-04 -1.5946826039E-05
  0.0000000000E+00 -1.5946826039E-05  6.0711220077E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.2886035777E-04 -1.5946826039E-05
  1.2886035777E-04  0.0000000000E+00  0.0000000000E+00
 -1.5946826039E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.5946826039E-05  7.3661151558E-05
 -1.5946826039E-05  0.0000000000E+00  0.0000000000E+00
  7.3661151558E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.2886035777E-04 -1.5946826039E-05
  1.2886035777E-04  0.0000000000E+00  0.0000000000E+00
 -1.5946826039E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  3.7266579782E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.3038651336E-04  1.5946826039E-05
  0.0000000000E+00  1.5946826039E-05  6.0711220077E-04

 Crystal Tensor_qq(ke,je,3,2)
 -1.5946826039E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5946826039E-05  7.3661151558E-05
  0.0000000000E+00  7.3661151558E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.5946826039E-05  7.3661151558E-05
 -1.5946826039E-05  0.0000000000E+00  0.0000000000E+00
  7.3661151558E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.5946826039E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5946826039E-05  7.3661151558E-05
  0.0000000000E+00  7.3661151558E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  6.0711220077E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.0711220077E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0398395719E-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  7.94151E-02  7.94151E-02  7.93599E-02  5.34216E-02  2.74026E-02  5.34216E-02  6.20700E-02
   dip-dip  7.92863E-02  7.92863E-02  7.92863E-02  5.33076E-02  2.73289E-02  5.33076E-02  6.19672E-02
   qua-qua  1.28860E-04  1.28860E-04  7.36612E-05  1.14000E-04  7.36612E-05  1.14000E-04  1.02818E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  4.30281E-04  1.03310E-16  1.37938E-03  8.54276E-17
   dip-dip  0.00000E+00  1.02799E-16  0.00000E+00  8.43455E-17
   qua-qua  4.30281E-04  5.11220E-19  1.37938E-03  1.08207E-18

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

 Energ =   4.50000 eV

 Vmoy = -19.98276 eV, Vmftabs = -23.20344 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.341E-06  9.023E-09    2.588E-03 -9.964E-06    4.848E-04 -1.873E-06
  1  0    1  1      4.034E-02  9.823E-03   -1.030E+00 -2.508E-01   -1.166E-01 -2.838E-02
  2  0    1  1      2.112E-04 -4.688E-08   -8.818E-03  2.047E-06   -1.687E-03  4.136E-07
  3  0    1  1      2.789E-06 -1.441E-08   -1.538E-04  7.962E-07   -3.784E-05  1.963E-07
  4  0    1  1      5.313E-07 -4.271E-09   -3.598E-05  2.896E-07   -1.063E-05  8.565E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.6558732688E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6558732688E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9098518986E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4955186879E-04  0.0000000000E+00 -9.8076292618E-06
  0.0000000000E+00  1.0152633024E-04 -3.3608769999E-06
 -9.8076292618E-06 -3.3608769999E-06  1.5033568764E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.4012769275E-05 -3.3608769999E-06
  2.4012769275E-05  0.0000000000E+00  9.8076292618E-06
 -3.3608769999E-06  9.8076292618E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -9.8076292618E-06 -3.3608769999E-06  1.2932241023E-05
 -3.3608769999E-06  9.8076292618E-06  0.0000000000E+00
  1.2932241023E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.4012769275E-05 -3.3608769999E-06
  2.4012769275E-05  0.0000000000E+00  9.8076292618E-06
 -3.3608769999E-06  9.8076292618E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.0152633024E-04  0.0000000000E+00  9.8076292618E-06
  0.0000000000E+00  1.4955186879E-04  3.3608769999E-06
  9.8076292618E-06  3.3608769999E-06  1.5033568764E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -3.3608769999E-06  9.8076292618E-06  0.0000000000E+00
  9.8076292618E-06  3.3608769999E-06  1.2932241023E-05
  0.0000000000E+00  1.2932241023E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -9.8076292618E-06 -3.3608769999E-06  1.2932241023E-05
 -3.3608769999E-06  9.8076292618E-06  0.0000000000E+00
  1.2932241023E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -3.3608769999E-06  9.8076292618E-06  0.0000000000E+00
  9.8076292618E-06  3.3608769999E-06  1.2932241023E-05
  0.0000000000E+00  1.2932241023E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.5033568764E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5033568764E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3956438398E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.9352396130E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.9352396130E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5459111392E-02

 Crystal Tensor_qq(ke,je,1,1)
  8.9731121272E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.0915798142E-04 -2.0165261999E-05
  0.0000000000E+00 -2.0165261999E-05  9.0201412583E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.4407661565E-04 -2.0165261999E-05
  1.4407661565E-04  0.0000000000E+00  0.0000000000E+00
 -2.0165261999E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.0165261999E-05  7.7593446141E-05
 -2.0165261999E-05  0.0000000000E+00  0.0000000000E+00
  7.7593446141E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.4407661565E-04 -2.0165261999E-05
  1.4407661565E-04  0.0000000000E+00  0.0000000000E+00
 -2.0165261999E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  6.0915798142E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9731121272E-04  2.0165261999E-05
  0.0000000000E+00  2.0165261999E-05  9.0201412583E-04

 Crystal Tensor_qq(ke,je,3,2)
 -2.0165261999E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0165261999E-05  7.7593446141E-05
  0.0000000000E+00  7.7593446141E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.0165261999E-05  7.7593446141E-05
 -2.0165261999E-05  0.0000000000E+00  0.0000000000E+00
  7.7593446141E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.0165261999E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0165261999E-05  7.7593446141E-05
  0.0000000000E+00  7.7593446141E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  9.0201412583E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0201412583E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4373863039E-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  9.94965E-02  9.94965E-02  9.94300E-02  6.75384E-02  3.55367E-02  6.75384E-02  7.81691E-02
   dip-dip  9.93524E-02  9.93524E-02  9.93524E-02  6.74058E-02  3.54591E-02  6.74058E-02  7.80546E-02
   qua-qua  1.44077E-04  1.44077E-04  7.75934E-05  1.32667E-04  7.75934E-05  1.32667E-04  1.14441E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  5.25914E-04  1.27052E-16  1.68595E-03  1.05054E-16
   dip-dip  0.00000E+00  1.26423E-16  0.00000E+00  1.03729E-16
   qua-qua  5.25914E-04  6.29414E-19  1.68595E-03  1.32503E-18

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

 Energ =   5.00000 eV

 Vmoy = -19.98254 eV, Vmftabs = -23.19790 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.295E-06  8.539E-09    2.538E-03 -9.429E-06    4.754E-04 -1.773E-06
  1  0    1  1     -7.848E-02  5.164E-02    2.004E+00 -1.319E+00    2.267E-01 -1.492E-01
  2  0    1  1      2.108E-04 -1.752E-08   -8.802E-03  8.212E-07   -1.684E-03  1.791E-07
  3  0    1  1      2.721E-06 -1.352E-08   -1.501E-04  7.467E-07   -3.692E-05  1.841E-07
  4  0    1  1      5.111E-07 -3.976E-09   -3.462E-05  2.696E-07   -1.023E-05  7.975E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1022058994E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1022058994E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.1296134912E-03

 Tensor_qq(ke,je,1,1), prototypical atom
  2.4220118069E-04  0.0000000000E+00 -1.2250862327E-05
  0.0000000000E+00  1.8668027583E-04 -4.3227378342E-06
 -1.2250862327E-05 -4.3227378342E-06  2.5342000522E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  2.7760452431E-05 -4.3227378342E-06
  2.7760452431E-05  0.0000000000E+00  1.2250862327E-05
 -4.3227378342E-06  1.2250862327E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.2250862327E-05 -4.3227378342E-06  1.4075030409E-05
 -4.3227378342E-06  1.2250862327E-05  0.0000000000E+00
  1.4075030409E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  2.7760452431E-05 -4.3227378342E-06
  2.7760452431E-05  0.0000000000E+00  1.2250862327E-05
 -4.3227378342E-06  1.2250862327E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.8668027583E-04  0.0000000000E+00  1.2250862327E-05
  0.0000000000E+00  2.4220118069E-04  4.3227378342E-06
  1.2250862327E-05  4.3227378342E-06  2.5342000522E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.3227378342E-06  1.2250862327E-05  0.0000000000E+00
  1.2250862327E-05  4.3227378342E-06  1.4075030409E-05
  0.0000000000E+00  1.4075030409E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.2250862327E-05 -4.3227378342E-06  1.4075030409E-05
 -4.3227378342E-06  1.2250862327E-05  0.0000000000E+00
  1.4075030409E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.3227378342E-06  1.2250862327E-05  0.0000000000E+00
  1.2250862327E-05  4.3227378342E-06  1.4075030409E-05
  0.0000000000E+00  1.4075030409E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.5342000522E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5342000522E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7207010770E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2613235397E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2613235397E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.8777680947E-02

 Crystal Tensor_qq(ke,je,1,1)
  1.4532070842E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1200816550E-03 -2.5936427005E-05
  0.0000000000E+00 -2.5936427005E-05  1.5205200313E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.6656271459E-04 -2.5936427005E-05
  1.6656271459E-04  0.0000000000E+00  0.0000000000E+00
 -2.5936427005E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.5936427005E-05  8.4450182456E-05
 -2.5936427005E-05  0.0000000000E+00  0.0000000000E+00
  8.4450182456E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.6656271459E-04 -2.5936427005E-05
  1.6656271459E-04  0.0000000000E+00  0.0000000000E+00
 -2.5936427005E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.1200816550E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4532070842E-03  2.5936427005E-05
  0.0000000000E+00  2.5936427005E-05  1.5205200313E-03

 Crystal Tensor_qq(ke,je,3,2)
 -2.5936427005E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5936427005E-05  8.4450182456E-05
  0.0000000000E+00  8.4450182456E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.5936427005E-05  8.4450182456E-05
 -2.5936427005E-05  0.0000000000E+00  0.0000000000E+00
  8.4450182456E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.5936427005E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5936427005E-05  8.4450182456E-05
  0.0000000000E+00  8.4450182456E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.5205200313E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5205200313E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2324206462E-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  1.26299E-01  1.26299E-01  1.26217E-01  8.76162E-02  4.88621E-02  8.76162E-02  1.00480E-01
   dip-dip  1.26132E-01  1.26132E-01  1.26132E-01  8.74550E-02  4.87777E-02  8.74550E-02  1.00347E-01
   qua-qua  1.66563E-04  1.66563E-04  8.44502E-05  1.61147E-04  8.44502E-05  1.61147E-04  1.32273E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  6.56970E-04  1.53860E-16  2.10609E-03  1.27249E-16
   dip-dip  0.00000E+00  1.53068E-16  0.00000E+00  1.25591E-16
   qua-qua  6.56970E-04  7.91552E-19  2.10609E-03  1.65803E-18

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

 Energ =   5.50000 eV

 Vmoy = -19.98285 eV, Vmftabs = -23.19242 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.252E-06  8.088E-09    2.490E-03 -8.931E-06    4.665E-04 -1.679E-06
  1  0    1  1     -2.323E-02  3.302E-03    5.931E-01 -8.432E-02    6.710E-02 -9.541E-03
  2  0    1  1      2.105E-04  1.015E-08   -8.791E-03 -3.343E-07   -1.682E-03 -4.201E-08
  3  0    1  1      2.658E-06 -1.269E-08   -1.466E-04  7.012E-07   -3.605E-05  1.729E-07
  4  0    1  1      4.924E-07 -3.708E-09   -3.335E-05  2.514E-07   -9.852E-06  7.438E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.6887115833E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6887115833E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1895565652E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  4.5455758432E-04  0.0000000000E+00 -1.5412716956E-05
  0.0000000000E+00  3.8888182434E-04 -5.5724472881E-06
 -1.5412716956E-05 -5.5724472881E-06  4.8471145287E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.2837879990E-05 -5.5724472881E-06
  3.2837879990E-05  0.0000000000E+00  1.5412716956E-05
 -5.5724472881E-06  1.5412716956E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.5412716956E-05 -5.5724472881E-06  1.5742634607E-05
 -5.5724472881E-06  1.5412716956E-05  0.0000000000E+00
  1.5742634607E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.2837879990E-05 -5.5724472881E-06
  3.2837879990E-05  0.0000000000E+00  1.5412716956E-05
 -5.5724472881E-06  1.5412716956E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.8888182434E-04  0.0000000000E+00  1.5412716956E-05
  0.0000000000E+00  4.5455758432E-04  5.5724472881E-06
  1.5412716956E-05  5.5724472881E-06  4.8471145287E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -5.5724472881E-06  1.5412716956E-05  0.0000000000E+00
  1.5412716956E-05  5.5724472881E-06  1.5742634607E-05
  0.0000000000E+00  1.5742634607E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.5412716956E-05 -5.5724472881E-06  1.5742634607E-05
 -5.5724472881E-06  1.5412716956E-05  0.0000000000E+00
  1.5742634607E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -5.5724472881E-06  1.5412716956E-05  0.0000000000E+00
  1.5412716956E-05  5.5724472881E-06  1.5742634607E-05
  0.0000000000E+00  1.5742634607E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  4.8471145287E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8471145287E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.4784916970E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.6132269500E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6132269500E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.1373393913E-02

 Crystal Tensor_qq(ke,je,1,1)
  2.7273455059E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3332909460E-03 -3.3434683729E-05
  0.0000000000E+00 -3.3434683729E-05  2.9082687172E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  1.9702727994E-04 -3.3434683729E-05
  1.9702727994E-04  0.0000000000E+00  0.0000000000E+00
 -3.3434683729E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.3434683729E-05  9.4455807644E-05
 -3.3434683729E-05  0.0000000000E+00  0.0000000000E+00
  9.4455807644E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  1.9702727994E-04 -3.3434683729E-05
  1.9702727994E-04  0.0000000000E+00  0.0000000000E+00
 -3.3434683729E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.3332909460E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7273455059E-03  3.3434683729E-05
  0.0000000000E+00  3.3434683729E-05  2.9082687172E-03

 Crystal Tensor_qq(ke,je,3,2)
 -3.3434683729E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3434683729E-05  9.4455807644E-05
  0.0000000000E+00  9.4455807644E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.3434683729E-05  9.4455807644E-05
 -3.3434683729E-05  0.0000000000E+00  0.0000000000E+00
  9.4455807644E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.3434683729E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3434683729E-05  9.4455807644E-05
  0.0000000000E+00  9.4455807644E-05  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  2.9082687172E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9082687172E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8870950182E-03

 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  1.61520E-01  1.61520E-01  1.61417E-01  1.16548E-01  7.14678E-02  1.16548E-01  1.31496E-01
   dip-dip  1.61323E-01  1.61323E-01  1.61323E-01  1.16348E-01  7.13734E-02  1.16348E-01  1.31340E-01
   qua-qua  1.97027E-04  1.97027E-04  9.44558E-05  1.99476E-04  9.44558E-05  1.99476E-04  1.56652E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  8.26582E-04  1.79003E-16  2.64982E-03  1.48138E-16
   dip-dip  0.00000E+00  1.78002E-16  0.00000E+00  1.46049E-16
   qua-qua  8.26582E-04  1.00193E-18  2.64982E-03  2.08921E-18

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

 Energ =   6.00000 eV

 Vmoy = -19.98348 eV, Vmftabs = -23.18700 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.211E-06  7.669E-09    2.445E-03 -8.468E-06    4.580E-04 -1.592E-06
  1  0    1  1     -1.301E-02  1.046E-03    3.322E-01 -2.671E-02    3.758E-02 -3.023E-03
  2  0    1  1      2.104E-04  3.630E-08   -8.785E-03 -1.426E-06   -1.680E-03 -2.509E-07
  3  0    1  1      2.598E-06 -1.193E-08   -1.432E-04  6.593E-07   -3.524E-05  1.626E-07
  4  0    1  1      4.749E-07 -3.464E-09   -3.216E-05  2.349E-07   -9.502E-06  6.949E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.4414671819E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4414671819E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8263607716E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  8.0214703095E-04  0.0000000000E+00 -1.9183453029E-05
  0.0000000000E+00  7.2397078644E-04 -7.0776883752E-06
 -1.9183453029E-05 -7.0776883752E-06  8.2612043376E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  3.9088122252E-05 -7.0776883752E-06
  3.9088122252E-05  0.0000000000E+00  1.9183453029E-05
 -7.0776883752E-06  1.9183453029E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.9183453029E-05 -7.0776883752E-06  1.7853833624E-05
 -7.0776883752E-06  1.9183453029E-05  0.0000000000E+00
  1.7853833624E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  3.9088122252E-05 -7.0776883752E-06
  3.9088122252E-05  0.0000000000E+00  1.9183453029E-05
 -7.0776883752E-06  1.9183453029E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  7.2397078644E-04  0.0000000000E+00  1.9183453029E-05
  0.0000000000E+00  8.0214703095E-04  7.0776883752E-06
  1.9183453029E-05  7.0776883752E-06  8.2612043376E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -7.0776883752E-06  1.9183453029E-05  0.0000000000E+00
  1.9183453029E-05  7.0776883752E-06  1.7853833624E-05
  0.0000000000E+00  1.7853833624E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.9183453029E-05 -7.0776883752E-06  1.7853833624E-05
 -7.0776883752E-06  1.9183453029E-05  0.0000000000E+00
  1.7853833624E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -7.0776883752E-06  1.9183453029E-05  0.0000000000E+00
  1.9183453029E-05  7.0776883752E-06  1.7853833624E-05
  0.0000000000E+00  1.7853833624E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  8.2612043376E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.2612043376E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0083324590E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0648803092E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0648803092E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0958164630E-01

 Crystal Tensor_qq(ke,je,1,1)
  4.8128821857E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3438247187E-03 -4.2466130251E-05
  0.0000000000E+00 -4.2466130251E-05  4.9567226026E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.3452873351E-04 -4.2466130251E-05
  2.3452873351E-04  0.0000000000E+00  0.0000000000E+00
 -4.2466130251E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.2466130251E-05  1.0712300174E-04
 -4.2466130251E-05  0.0000000000E+00  0.0000000000E+00
  1.0712300174E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.3452873351E-04 -4.2466130251E-05
  2.3452873351E-04  0.0000000000E+00  0.0000000000E+00
 -4.2466130251E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  4.3438247187E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8128821857E-03  4.2466130251E-05
  0.0000000000E+00  4.2466130251E-05  4.9567226026E-03

 Crystal Tensor_qq(ke,je,3,2)
 -4.2466130251E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2466130251E-05  1.0712300174E-04
  0.0000000000E+00  1.0712300174E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.2466130251E-05  1.0712300174E-04
 -4.2466130251E-05  0.0000000000E+00  0.0000000000E+00
  1.0712300174E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.2466130251E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2466130251E-05  1.0712300174E-04
  0.0000000000E+00  1.0712300174E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.9567226026E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9567226026E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0499947542E-03

 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  2.06723E-01  2.06723E-01  2.06595E-01  1.58272E-01  1.09689E-01  1.58272E-01  1.74370E-01
   dip-dip  2.06488E-01  2.06488E-01  2.06488E-01  1.58035E-01  1.09582E-01  1.58035E-01  1.74186E-01
   qua-qua  2.34529E-04  2.34529E-04  1.07123E-04  2.37358E-04  1.07123E-04  2.37358E-04  1.84321E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.02887E-03  1.93035E-16  3.29832E-03  1.59959E-16
   dip-dip  0.00000E+00  1.91781E-16  0.00000E+00  1.57355E-16
   qua-qua  1.02887E-03  1.25383E-18  3.29832E-03  2.60375E-18

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

 Energ =   6.50000 eV

 Vmoy = -19.98462 eV, Vmftabs = -23.18163 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.172E-06  7.277E-09    2.402E-03 -8.035E-06    4.499E-04 -1.511E-06
  1  0    1  1     -8.944E-03  5.034E-04    2.283E-01 -1.285E-02    2.583E-02 -1.455E-03
  2  0    1  1      2.104E-04  6.102E-08   -8.783E-03 -2.458E-06   -1.680E-03 -4.484E-07
  3  0    1  1      2.542E-06 -1.123E-08   -1.402E-04  6.207E-07   -3.448E-05  1.531E-07
  4  0    1  1      4.587E-07 -3.242E-09   -3.106E-05  2.198E-07   -9.176E-06  6.502E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.3546291943E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3546291943E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8406516073E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  7.0418890441E-04  0.0000000000E+00 -2.3186407007E-05
  0.0000000000E+00  6.1238968286E-04 -8.7036866278E-06
 -2.3186407007E-05 -8.7036866278E-06  6.3247017532E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.5899610776E-05 -8.7036866278E-06
  4.5899610776E-05  0.0000000000E+00  2.3186407007E-05
 -8.7036866278E-06  2.3186407007E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -2.3186407007E-05 -8.7036866278E-06  2.0150583950E-05
 -8.7036866278E-06  2.3186407007E-05  0.0000000000E+00
  2.0150583950E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.5899610776E-05 -8.7036866278E-06
  4.5899610776E-05  0.0000000000E+00  2.3186407007E-05
 -8.7036866278E-06  2.3186407007E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  6.1238968286E-04  0.0000000000E+00  2.3186407007E-05
  0.0000000000E+00  7.0418890441E-04  8.7036866278E-06
  2.3186407007E-05  8.7036866278E-06  6.3247017532E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -8.7036866278E-06  2.3186407007E-05  0.0000000000E+00
  2.3186407007E-05  8.7036866278E-06  2.0150583950E-05
  0.0000000000E+00  2.0150583950E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -2.3186407007E-05 -8.7036866278E-06  2.0150583950E-05
 -8.7036866278E-06  2.3186407007E-05  0.0000000000E+00
  2.0150583950E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -8.7036866278E-06  2.3186407007E-05  0.0000000000E+00
  2.3186407007E-05  8.7036866278E-06  2.0150583950E-05
  0.0000000000E+00  2.0150583950E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  6.3247017532E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.3247017532E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.4769521421E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.6127775166E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6127775166E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7043909644E-01

 Crystal Tensor_qq(ke,je,1,1)
  4.2251334264E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6743380971E-03 -5.2222119767E-05
  0.0000000000E+00 -5.2222119767E-05  3.7948210519E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.7539766466E-04 -5.2222119767E-05
  2.7539766466E-04  0.0000000000E+00  0.0000000000E+00
 -5.2222119767E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -5.2222119767E-05  1.2090350370E-04
 -5.2222119767E-05  0.0000000000E+00  0.0000000000E+00
  1.2090350370E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.7539766466E-04 -5.2222119767E-05
  2.7539766466E-04  0.0000000000E+00  0.0000000000E+00
 -5.2222119767E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  3.6743380971E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2251334264E-03  5.2222119767E-05
  0.0000000000E+00  5.2222119767E-05  3.7948210519E-03

 Crystal Tensor_qq(ke,je,3,2)
 -5.2222119767E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2222119767E-05  1.2090350370E-04
  0.0000000000E+00  1.2090350370E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -5.2222119767E-05  1.2090350370E-04
 -5.2222119767E-05  0.0000000000E+00  0.0000000000E+00
  1.2090350370E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -5.2222119767E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2222119767E-05  1.2090350370E-04
  0.0000000000E+00  1.2090350370E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  3.7948210519E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7948210519E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.4861712853E-03

 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  2.61553E-01  2.61553E-01  2.61399E-01  2.16139E-01  1.70560E-01  2.16139E-01  2.31213E-01
   dip-dip  2.61278E-01  2.61278E-01  2.61278E-01  2.15858E-01  1.70439E-01  2.15858E-01  2.30998E-01
   qua-qua  2.75398E-04  2.75398E-04  1.20904E-04  2.80416E-04  1.20904E-04  2.80416E-04  2.14938E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.24365E-03  1.81308E-16  3.98683E-03  1.50663E-16
   dip-dip  0.00000E+00  1.79785E-16  0.00000E+00  1.47512E-16
   qua-qua  1.24365E-03  1.52362E-18  3.98683E-03  3.15101E-18

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

 Energ =   7.00000 eV

 Vmoy = -19.98634 eV, Vmftabs = -23.17631 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.135E-06  6.911E-09    2.361E-03 -7.631E-06    4.423E-04 -1.435E-06
  1  0    1  1     -6.767E-03  2.937E-04    1.727E-01 -7.499E-03    1.954E-02 -8.487E-04
  2  0    1  1      2.105E-04  8.443E-08   -8.786E-03 -3.435E-06   -1.681E-03 -6.353E-07
  3  0    1  1      2.489E-06 -1.059E-08   -1.372E-04  5.850E-07   -3.376E-05  1.443E-07
  4  0    1  1      4.434E-07 -3.038E-09   -3.003E-05  2.060E-07   -8.871E-06  6.094E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.3396219379E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3396219379E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2120336301E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  4.1175134551E-04  0.0000000000E+00 -2.6822734877E-05
  0.0000000000E+00  3.0723915127E-04 -1.0224251279E-05
 -2.6822734877E-05 -1.0224251279E-05  2.7732929652E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.2256097123E-05 -1.0224251279E-05
  5.2256097123E-05  0.0000000000E+00  2.6822734877E-05
 -1.0224251279E-05  2.6822734877E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -2.6822734877E-05 -1.0224251279E-05  2.2236115690E-05
 -1.0224251279E-05  2.6822734877E-05  0.0000000000E+00
  2.2236115690E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.2256097123E-05 -1.0224251279E-05
  5.2256097123E-05  0.0000000000E+00  2.6822734877E-05
 -1.0224251279E-05  2.6822734877E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.0723915127E-04  0.0000000000E+00  2.6822734877E-05
  0.0000000000E+00  4.1175134551E-04  1.0224251279E-05
  2.6822734877E-05  1.0224251279E-05  2.7732929652E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.0224251279E-05  2.6822734877E-05  0.0000000000E+00
  2.6822734877E-05  1.0224251279E-05  2.2236115690E-05
  0.0000000000E+00  2.2236115690E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -2.6822734877E-05 -1.0224251279E-05  2.2236115690E-05
 -1.0224251279E-05  2.6822734877E-05  0.0000000000E+00
  2.2236115690E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.0224251279E-05  2.6822734877E-05  0.0000000000E+00
  2.6822734877E-05  1.0224251279E-05  2.2236115690E-05
  0.0000000000E+00  2.2236115690E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.7732929652E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7732929652E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7770153353E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.2037731628E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2037731628E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5272201780E-01

 Crystal Tensor_qq(ke,je,1,1)
  2.4705080731E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8434349076E-03 -6.1345507673E-05
  0.0000000000E+00 -6.1345507673E-05  1.6639757791E-03

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.1353658274E-04 -6.1345507673E-05
  3.1353658274E-04  0.0000000000E+00  0.0000000000E+00
 -6.1345507673E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -6.1345507673E-05  1.3341669414E-04
 -6.1345507673E-05  0.0000000000E+00  0.0000000000E+00
  1.3341669414E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.1353658274E-04 -6.1345507673E-05
  3.1353658274E-04  0.0000000000E+00  0.0000000000E+00
 -6.1345507673E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.8434349076E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4705080731E-03  6.1345507673E-05
  0.0000000000E+00  6.1345507673E-05  1.6639757791E-03

 Crystal Tensor_qq(ke,je,3,2)
 -6.1345507673E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1345507673E-05  1.3341669414E-04
  0.0000000000E+00  1.3341669414E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -6.1345507673E-05  1.3341669414E-04
 -6.1345507673E-05  0.0000000000E+00  0.0000000000E+00
  1.3341669414E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -6.1345507673E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1345507673E-05  1.3341669414E-04
  0.0000000000E+00  1.3341669414E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.6639757791E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6639757791E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2662092012E-03

 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  3.20691E-01  3.20691E-01  3.20511E-01  2.86902E-01  2.52855E-01  2.86902E-01  2.98077E-01
   dip-dip  3.20377E-01  3.20377E-01  3.20377E-01  2.86550E-01  2.52722E-01  2.86550E-01  2.97826E-01
   qua-qua  3.13537E-04  3.13537E-04  1.33417E-04  3.52191E-04  1.33417E-04  3.52191E-04  2.51797E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.43878E-03  1.35683E-16  4.61238E-03  1.13522E-16
   dip-dip  0.00000E+00  1.33910E-16  0.00000E+00  1.09872E-16
   qua-qua  1.43878E-03  1.77314E-18  4.61238E-03  3.65042E-18

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

 Energ =   7.50000 eV

 Vmoy = -19.98883 eV, Vmftabs = -23.17104 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.100E-06  6.568E-09    2.322E-03 -7.251E-06    4.350E-04 -1.364E-06
  1  0    1  1     -5.412E-03  1.913E-04    1.381E-01 -4.885E-03    1.563E-02 -5.529E-04
  2  0    1  1      2.106E-04  1.066E-07   -8.793E-03 -4.360E-06   -1.682E-03 -8.121E-07
  3  0    1  1      2.440E-06 -9.988E-09   -1.345E-04  5.519E-07   -3.309E-05  1.361E-07
  4  0    1  1      4.292E-07 -2.851E-09   -2.907E-05  1.933E-07   -8.587E-06  5.720E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.1952175550E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1952175550E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.5664068959E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.7155000834E-04  0.0000000000E+00 -2.9562160146E-05
  0.0000000000E+00  1.5712619613E-04 -1.1428960733E-05
 -2.9562160146E-05 -1.1428960733E-05  1.1338923067E-04

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.7211906103E-05 -1.1428960733E-05
  5.7211906103E-05  0.0000000000E+00  2.9562160146E-05
 -1.1428960733E-05  2.9562160146E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -2.9562160146E-05 -1.1428960733E-05  2.3776636587E-05
 -1.1428960733E-05  2.9562160146E-05  0.0000000000E+00
  2.3776636587E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.7211906103E-05 -1.1428960733E-05
  5.7211906103E-05  0.0000000000E+00  2.9562160146E-05
 -1.1428960733E-05  2.9562160146E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.5712619613E-04  0.0000000000E+00  2.9562160146E-05
  0.0000000000E+00  2.7155000834E-04  1.1428960733E-05
  2.9562160146E-05  1.1428960733E-05  1.1338923067E-04

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.1428960733E-05  2.9562160146E-05  0.0000000000E+00
  2.9562160146E-05  1.1428960733E-05  2.3776636587E-05
  0.0000000000E+00  2.3776636587E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -2.9562160146E-05 -1.1428960733E-05  2.3776636587E-05
 -1.1428960733E-05  2.9562160146E-05  0.0000000000E+00
  2.3776636587E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.1428960733E-05  2.9562160146E-05  0.0000000000E+00
  2.9562160146E-05  1.1428960733E-05  2.3776636587E-05
  0.0000000000E+00  2.3776636587E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.1338923067E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1338923067E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3849827417E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.7171305330E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7171305330E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3398441375E-01

 Crystal Tensor_qq(ke,je,1,1)
  1.6293000500E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.4275717681E-04 -6.8573764398E-05
  0.0000000000E+00 -6.8573764398E-05  6.8033538401E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.4327143662E-04 -6.8573764398E-05
  3.4327143662E-04  0.0000000000E+00  0.0000000000E+00
 -6.8573764398E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -6.8573764398E-05  1.4265981952E-04
 -6.8573764398E-05  0.0000000000E+00  0.0000000000E+00
  1.4265981952E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.4327143662E-04 -6.8573764398E-05
  3.4327143662E-04  0.0000000000E+00  0.0000000000E+00
 -6.8573764398E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  9.4275717681E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6293000500E-03  6.8573764398E-05
  0.0000000000E+00  6.8573764398E-05  6.8033538401E-04

 Crystal Tensor_qq(ke,je,3,2)
 -6.8573764398E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8573764398E-05  1.4265981952E-04
  0.0000000000E+00  1.4265981952E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -6.8573764398E-05  1.4265981952E-04
 -6.8573764398E-05  0.0000000000E+00  0.0000000000E+00
  1.4265981952E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -6.8573764398E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8573764398E-05  1.4265981952E-04
  0.0000000000E+00  1.4265981952E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  6.8033538401E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8033538401E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4309896450E-03

 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  3.72056E-01  3.72056E-01  3.71856E-01  3.53274E-01  3.34127E-01  3.53274E-01  3.59422E-01
   dip-dip  3.71713E-01  3.71713E-01  3.71713E-01  3.52849E-01  3.33984E-01  3.52849E-01  3.59137E-01
   qua-qua  3.43271E-04  3.43271E-04  1.42660E-04  4.24905E-04  1.42660E-04  4.24905E-04  2.84796E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.58583E-03  7.66470E-17  5.08378E-03  6.53040E-17
   dip-dip  0.00000E+00  7.46809E-17  0.00000E+00  6.12750E-17
   qua-qua  1.58583E-03  1.96610E-18  5.08378E-03  4.02904E-18

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

 Energ =   8.00000 eV

 Vmoy = -19.99185 eV, Vmftabs = -23.16582 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.066E-06  6.246E-09    2.285E-03 -6.896E-06    4.280E-04 -1.297E-06
  1  0    1  1     -4.492E-03  1.341E-04    1.146E-01 -3.424E-03    1.297E-02 -3.875E-04
  2  0    1  1      2.109E-04  1.276E-07   -8.803E-03 -5.236E-06   -1.684E-03 -9.797E-07
  3  0    1  1      2.393E-06 -9.433E-09   -1.319E-04  5.212E-07   -3.246E-05  1.286E-07
  4  0    1  1      4.159E-07 -2.680E-09   -2.816E-05  1.817E-07   -8.320E-06  5.376E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.6836263186E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6836263186E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.3874434436E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  2.0942498925E-04  0.0000000000E+00 -3.1247939187E-05
  0.0000000000E+00  8.8579894416E-05 -1.2243209765E-05
 -3.1247939187E-05 -1.2243209765E-05  4.1181652538E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.0422547414E-05 -1.2243209765E-05
  6.0422547414E-05  0.0000000000E+00  3.1247939187E-05
 -1.2243209765E-05  3.1247939187E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.1247939187E-05 -1.2243209765E-05  2.4702813102E-05
 -1.2243209765E-05  3.1247939187E-05  0.0000000000E+00
  2.4702813102E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.0422547414E-05 -1.2243209765E-05
  6.0422547414E-05  0.0000000000E+00  3.1247939187E-05
 -1.2243209765E-05  3.1247939187E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  8.8579894416E-05  0.0000000000E+00  3.1247939187E-05
  0.0000000000E+00  2.0942498925E-04  1.2243209765E-05
  3.1247939187E-05  1.2243209765E-05  4.1181652538E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.2243209765E-05  3.1247939187E-05  0.0000000000E+00
  3.1247939187E-05  1.2243209765E-05  2.4702813102E-05
  0.0000000000E+00  2.4702813102E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.1247939187E-05 -1.2243209765E-05  2.4702813102E-05
 -1.2243209765E-05  3.1247939187E-05  0.0000000000E+00
  2.4702813102E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.2243209765E-05  3.1247939187E-05  0.0000000000E+00
  3.1247939187E-05  1.2243209765E-05  2.4702813102E-05
  0.0000000000E+00  2.4702813102E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  4.1181652538E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1181652538E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9231742253E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.0101757912E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0101757912E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8324660661E-01

 Crystal Tensor_qq(ke,je,1,1)
  1.2565499355E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3147936650E-04 -7.3459258590E-05
  0.0000000000E+00 -7.3459258590E-05  2.4708991523E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.6253528449E-04 -7.3459258590E-05
  3.6253528449E-04  0.0000000000E+00  0.0000000000E+00
 -7.3459258590E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.3459258590E-05  1.4821687861E-04
 -7.3459258590E-05  0.0000000000E+00  0.0000000000E+00
  1.4821687861E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.6253528449E-04 -7.3459258590E-05
  3.6253528449E-04  0.0000000000E+00  0.0000000000E+00
 -7.3459258590E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  5.3147936650E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2565499355E-03  7.3459258590E-05
  0.0000000000E+00  7.3459258590E-05  2.4708991523E-04

 Crystal Tensor_qq(ke,je,3,2)
 -7.3459258590E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3459258590E-05  1.4821687861E-04
  0.0000000000E+00  1.4821687861E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.3459258590E-05  1.4821687861E-04
 -7.3459258590E-05  0.0000000000E+00  0.0000000000E+00
  1.4821687861E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.3459258590E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3459258590E-05  1.4821687861E-04
  0.0000000000E+00  1.4821687861E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  2.4708991523E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4708991523E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1539045352E-03

 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  4.01380E-01  4.01380E-01  4.01166E-01  3.92611E-01  3.83395E-01  3.92611E-01  3.95402E-01
   dip-dip  4.01018E-01  4.01018E-01  4.01018E-01  3.92132E-01  3.83247E-01  3.92132E-01  3.95094E-01
   qua-qua  3.62535E-04  3.62535E-04  1.48217E-04  4.79069E-04  1.48217E-04  4.79069E-04  3.07883E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.67637E-03  3.72687E-17  5.37403E-03  3.31282E-17
   dip-dip  0.00000E+00  3.51785E-17  0.00000E+00  2.88637E-17
   qua-qua  1.67637E-03  2.09015E-18  5.37403E-03  4.26450E-18

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

 Energ =   8.50000 eV

 Vmoy = -19.99535 eV, Vmftabs = -23.16065 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.034E-06  5.945E-09    2.249E-03 -6.563E-06    4.213E-04 -1.235E-06
  1  0    1  1     -3.827E-03  9.894E-05    9.768E-02 -2.526E-03    1.105E-02 -2.860E-04
  2  0    1  1      2.112E-04  1.475E-07   -8.816E-03 -6.068E-06   -1.687E-03 -1.139E-06
  3  0    1  1      2.350E-06 -8.917E-09   -1.295E-04  4.927E-07   -3.187E-05  1.216E-07
  4  0    1  1      4.034E-07 -2.522E-09   -2.732E-05  1.710E-07   -8.070E-06  5.060E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.7009688748E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.7009688748E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.5832638000E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.7832740676E-04  0.0000000000E+00 -3.2106995212E-05
  0.0000000000E+00  5.3933829827E-05 -1.2739982557E-05
 -3.2106995212E-05 -1.2739982557E-05  6.7651552043E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.2196788466E-05 -1.2739982557E-05
  6.2196788466E-05  0.0000000000E+00  3.2106995212E-05
 -1.2739982557E-05  3.2106995212E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.2106995212E-05 -1.2739982557E-05  2.5205671262E-05
 -1.2739982557E-05  3.2106995212E-05  0.0000000000E+00
  2.5205671262E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.2196788466E-05 -1.2739982557E-05
  6.2196788466E-05  0.0000000000E+00  3.2106995212E-05
 -1.2739982557E-05  3.2106995212E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  5.3933829827E-05  0.0000000000E+00  3.2106995212E-05
  0.0000000000E+00  1.7832740676E-04  1.2739982557E-05
  3.2106995212E-05  1.2739982557E-05  6.7651552043E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.2739982557E-05  3.2106995212E-05  0.0000000000E+00
  3.2106995212E-05  1.2739982557E-05  2.5205671262E-05
  0.0000000000E+00  2.5205671262E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.2106995212E-05 -1.2739982557E-05  2.5205671262E-05
 -1.2739982557E-05  3.2106995212E-05  0.0000000000E+00
  2.5205671262E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.2739982557E-05  3.2106995212E-05  0.0000000000E+00
  3.2106995212E-05  1.2739982557E-05  2.5205671262E-05
  0.0000000000E+00  2.5205671262E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  6.7651552043E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.7651552043E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7361998579E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.0205813249E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0205813249E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9499582800E-01

 Crystal Tensor_qq(ke,je,1,1)
  1.0699644406E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2360297896E-04 -7.6439895341E-05
  0.0000000000E+00 -7.6439895341E-05  4.0590931226E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.7318073080E-04 -7.6439895341E-05
  3.7318073080E-04  0.0000000000E+00  0.0000000000E+00
 -7.6439895341E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.6439895341E-05  1.5123402757E-04
 -7.6439895341E-05  0.0000000000E+00  0.0000000000E+00
  1.5123402757E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.7318073080E-04 -7.6439895341E-05
  3.7318073080E-04  0.0000000000E+00  0.0000000000E+00
 -7.6439895341E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  3.2360297896E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0699644406E-03  7.6439895341E-05
  0.0000000000E+00  7.6439895341E-05  4.0590931226E-05

 Crystal Tensor_qq(ke,je,3,2)
 -7.6439895341E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.6439895341E-05  1.5123402757E-04
  0.0000000000E+00  1.5123402757E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.6439895341E-05  1.5123402757E-04
 -7.6439895341E-05  0.0000000000E+00  0.0000000000E+00
  1.5123402757E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.6439895341E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.6439895341E-05  1.5123402757E-04
  0.0000000000E+00  1.5123402757E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.0590931226E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0590931226E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0417199148E-03

 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  4.02431E-01  4.02431E-01  4.02209E-01  3.99035E-01  3.95147E-01  3.99035E-01  4.00024E-01
   dip-dip  4.02058E-01  4.02058E-01  4.02058E-01  3.98527E-01  3.94996E-01  3.98527E-01  3.99704E-01
   qua-qua  3.73181E-04  3.73181E-04  1.51234E-04  5.07626E-04  1.51234E-04  5.07626E-04  3.20254E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.72256E-03  1.61394E-17  5.52213E-03  1.58582E-17
   dip-dip  0.00000E+00  1.39811E-17  0.00000E+00  1.14714E-17
   qua-qua  1.72256E-03  2.15829E-18  5.52213E-03  4.38681E-18

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

 Energ =   9.00000 eV

 Vmoy = -19.99922 eV, Vmftabs = -23.15552 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -2.004E-06  5.662E-09    2.215E-03 -6.250E-06    4.150E-04 -1.176E-06
  1  0    1  1     -3.326E-03  7.587E-05    8.488E-02 -1.937E-03    9.600E-03 -2.193E-04
  2  0    1  1      2.116E-04  1.665E-07   -8.833E-03 -6.859E-06   -1.690E-03 -1.290E-06
  3  0    1  1      2.308E-06 -8.436E-09   -1.273E-04  4.662E-07   -3.131E-05  1.150E-07
  4  0    1  1      3.917E-07 -2.377E-09   -2.652E-05  1.611E-07   -7.835E-06  4.769E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.3453084026E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.3453084026E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.4280804915E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.6103074114E-04  0.0000000000E+00 -3.2513436792E-05
  0.0000000000E+00  3.4798529601E-05 -1.3053279837E-05
 -3.2513436792E-05 -1.3053279837E-05 -1.0131439426E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.3116105768E-05 -1.3053279837E-05
  6.3116105768E-05  0.0000000000E+00  3.2513436792E-05
 -1.3053279837E-05  3.2513436792E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.2513436792E-05 -1.3053279837E-05  2.5569138786E-05
 -1.3053279837E-05  3.2513436792E-05  0.0000000000E+00
  2.5569138786E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.3116105768E-05 -1.3053279837E-05
  6.3116105768E-05  0.0000000000E+00  3.2513436792E-05
 -1.3053279837E-05  3.2513436792E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.4798529601E-05  0.0000000000E+00  3.2513436792E-05
  0.0000000000E+00  1.6103074114E-04  1.3053279837E-05
  3.2513436792E-05  1.3053279837E-05 -1.0131439426E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.3053279837E-05  3.2513436792E-05  0.0000000000E+00
  3.2513436792E-05  1.3053279837E-05  2.5569138786E-05
  0.0000000000E+00  2.5569138786E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.2513436792E-05 -1.3053279837E-05  2.5569138786E-05
 -1.3053279837E-05  3.2513436792E-05  0.0000000000E+00
  2.5569138786E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.3053279837E-05  3.2513436792E-05  0.0000000000E+00
  3.2513436792E-05  1.3053279837E-05  2.5569138786E-05
  0.0000000000E+00  2.5569138786E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.0131439426E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0131439426E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6145574760E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.8071850416E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8071850416E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8568482949E-01

 Crystal Tensor_qq(ke,je,1,1)
  9.6618444682E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0879117761E-04 -7.8319679021E-05
  0.0000000000E+00 -7.8319679021E-05 -6.0788636554E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.7869663461E-04 -7.8319679021E-05
  3.7869663461E-04  0.0000000000E+00  0.0000000000E+00
 -7.8319679021E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.8319679021E-05  1.5341483272E-04
 -7.8319679021E-05  0.0000000000E+00  0.0000000000E+00
  1.5341483272E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.7869663461E-04 -7.8319679021E-05
  3.7869663461E-04  0.0000000000E+00  0.0000000000E+00
 -7.8319679021E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.0879117761E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.6618444682E-04  7.8319679021E-05
  0.0000000000E+00  7.8319679021E-05 -6.0788636554E-05

 Crystal Tensor_qq(ke,je,3,2)
 -7.8319679021E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.8319679021E-05  1.5341483272E-04
  0.0000000000E+00  1.5341483272E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.8319679021E-05  1.5341483272E-04
 -7.8319679021E-05  0.0000000000E+00  0.0000000000E+00
  1.5341483272E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.8319679021E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.8319679021E-05  1.5341483272E-04
  0.0000000000E+00  1.5341483272E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -6.0788636554E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -6.0788636554E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.6873448563E-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  3.81097E-01  3.81097E-01  3.80872E-01  3.83716E-01  3.85838E-01  3.83716E-01  3.82699E-01
   dip-dip  3.80719E-01  3.80719E-01  3.80719E-01  3.83202E-01  3.85685E-01  3.83202E-01  3.82374E-01
   qua-qua  3.78697E-04  3.78697E-04  1.53415E-04  5.14124E-04  1.53415E-04  5.14124E-04  3.24698E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.74448E-03 -7.63846E-18  5.59239E-03 -3.62098E-18
   dip-dip  0.00000E+00 -9.83237E-18  0.00000E+00 -8.06737E-18
   qua-qua  1.74448E-03  2.19391E-18  5.59239E-03  4.44638E-18

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

 Energ =   9.50000 eV

 Vmoy = -20.00349 eV, Vmftabs = -23.15044 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.975E-06  5.398E-09    2.183E-03 -5.958E-06    4.090E-04 -1.122E-06
  1  0    1  1     -2.942E-03  6.022E-05    7.507E-02 -1.538E-03    8.491E-03 -1.741E-04
  2  0    1  1      2.122E-04  1.849E-07   -8.855E-03 -7.626E-06   -1.694E-03 -1.437E-06
  3  0    1  1      2.269E-06 -7.986E-09   -1.251E-04  4.414E-07   -3.077E-05  1.089E-07
  4  0    1  1      3.805E-07 -2.242E-09   -2.576E-05  1.520E-07   -7.612E-06  4.498E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.8050307019E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8050307019E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.1702463494E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5101824319E-04  0.0000000000E+00 -3.2784878467E-05
  0.0000000000E+00  2.3636777569E-05 -1.3298983891E-05
 -3.2784878467E-05 -1.3298983891E-05 -1.8331761038E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.3690732811E-05 -1.3298983891E-05
  6.3690732811E-05  0.0000000000E+00  3.2784878467E-05
 -1.3298983891E-05  3.2784878467E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.2784878467E-05 -1.3298983891E-05  2.6029335596E-05
 -1.3298983891E-05  3.2784878467E-05  0.0000000000E+00
  2.6029335596E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.3690732811E-05 -1.3298983891E-05
  6.3690732811E-05  0.0000000000E+00  3.2784878467E-05
 -1.3298983891E-05  3.2784878467E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.3636777569E-05  0.0000000000E+00  3.2784878467E-05
  0.0000000000E+00  1.5101824319E-04  1.3298983891E-05
  3.2784878467E-05  1.3298983891E-05 -1.8331761038E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.3298983891E-05  3.2784878467E-05  0.0000000000E+00
  3.2784878467E-05  1.3298983891E-05  2.6029335596E-05
  0.0000000000E+00  2.6029335596E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.2784878467E-05 -1.3298983891E-05  2.6029335596E-05
 -1.3298983891E-05  3.2784878467E-05  0.0000000000E+00
  2.6029335596E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.3298983891E-05  3.2784878467E-05  0.0000000000E+00
  3.2784878467E-05  1.3298983891E-05  2.6029335596E-05
  0.0000000000E+00  2.6029335596E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.8331761038E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.8331761038E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5055041715E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.4830184212E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4830184212E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7021478097E-01

 Crystal Tensor_qq(ke,je,1,1)
  9.0610945915E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4182066541E-04 -7.9793903349E-05
  0.0000000000E+00 -7.9793903349E-05 -1.0999056623E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.8214439687E-04 -7.9793903349E-05
  3.8214439687E-04  0.0000000000E+00  0.0000000000E+00
 -7.9793903349E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.9793903349E-05  1.5617601358E-04
 -7.9793903349E-05  0.0000000000E+00  0.0000000000E+00
  1.5617601358E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.8214439687E-04 -7.9793903349E-05
  3.8214439687E-04  0.0000000000E+00  0.0000000000E+00
 -7.9793903349E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.4182066541E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0610945915E-04  7.9793903349E-05
  0.0000000000E+00  7.9793903349E-05 -1.0999056623E-04

 Crystal Tensor_qq(ke,je,3,2)
 -7.9793903349E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9793903349E-05  1.5617601358E-04
  0.0000000000E+00  1.5617601358E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.9793903349E-05  1.5617601358E-04
 -7.9793903349E-05  0.0000000000E+00  0.0000000000E+00
  1.5617601358E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.9793903349E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9793903349E-05  1.5617601358E-04
  0.0000000000E+00  1.5617601358E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.0999056623E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0999056623E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.0330250290E-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  3.48684E-01  3.48684E-01  3.48458E-01  3.59766E-01  3.70371E-01  3.59766E-01  3.55931E-01
   dip-dip  3.48302E-01  3.48302E-01  3.48302E-01  3.59258E-01  3.70215E-01  3.59258E-01  3.55606E-01
   qua-qua  3.82144E-04  3.82144E-04  1.56176E-04  5.07348E-04  1.56176E-04  5.07348E-04  3.25145E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.75916E-03 -4.11689E-17  5.63945E-03 -3.11117E-17
   dip-dip  0.00000E+00 -4.33862E-17  0.00000E+00 -3.55980E-17
   qua-qua  1.75916E-03  2.21732E-18  5.63945E-03  4.48629E-18

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

 Energ =  10.00000 eV

 Vmoy = -20.00805 eV, Vmftabs = -23.14541 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.947E-06  5.151E-09    2.152E-03 -5.685E-06    4.032E-04 -1.070E-06
  1  0    1  1     -2.637E-03  4.907E-05    6.730E-02 -1.253E-03    7.611E-03 -1.419E-04
  2  0    1  1      2.128E-04  2.028E-07   -8.882E-03 -8.372E-06   -1.699E-03 -1.579E-06
  3  0    1  1      2.231E-06 -7.563E-09   -1.230E-04  4.180E-07   -3.025E-05  1.032E-07
  4  0    1  1      3.699E-07 -2.116E-09   -2.504E-05  1.435E-07   -7.399E-06  4.246E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.2327714080E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2327714080E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9212493430E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4548835591E-04  0.0000000000E+00 -3.3098590930E-05
  0.0000000000E+00  1.7068548887E-05 -1.3539443643E-05
 -3.3098590930E-05 -1.3539443643E-05 -2.2119163828E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.4209903513E-05 -1.3539443643E-05
  6.4209903513E-05  0.0000000000E+00  3.3098590930E-05
 -1.3539443643E-05  3.3098590930E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.3098590930E-05 -1.3539443643E-05  2.6714504637E-05
 -1.3539443643E-05  3.3098590930E-05  0.0000000000E+00
  2.6714504637E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.4209903513E-05 -1.3539443643E-05
  6.4209903513E-05  0.0000000000E+00  3.3098590930E-05
 -1.3539443643E-05  3.3098590930E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.7068548887E-05  0.0000000000E+00  3.3098590930E-05
  0.0000000000E+00  1.4548835591E-04  1.3539443643E-05
  3.3098590930E-05  1.3539443643E-05 -2.2119163828E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.3539443643E-05  3.3098590930E-05  0.0000000000E+00
  3.3098590930E-05  1.3539443643E-05  2.6714504637E-05
  0.0000000000E+00  2.6714504637E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.3098590930E-05 -1.3539443643E-05  2.6714504637E-05
 -1.3539443643E-05  3.3098590930E-05  0.0000000000E+00
  2.6714504637E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.3539443643E-05  3.3098590930E-05  0.0000000000E+00
  3.3098590930E-05  1.3539443643E-05  2.6714504637E-05
  0.0000000000E+00  2.6714504637E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.2119163828E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2119163828E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4041225410E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.1396628448E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1396628448E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5527496058E-01

 Crystal Tensor_qq(ke,je,1,1)
  8.7293013547E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0241129332E-04 -8.1236661857E-05
  0.0000000000E+00 -8.1236661857E-05 -1.3271498297E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.8525942108E-04 -8.1236661857E-05
  3.8525942108E-04  0.0000000000E+00  0.0000000000E+00
 -8.1236661857E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -8.1236661857E-05  1.6028702782E-04
 -8.1236661857E-05  0.0000000000E+00  0.0000000000E+00
  1.6028702782E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.8525942108E-04 -8.1236661857E-05
  3.8525942108E-04  0.0000000000E+00  0.0000000000E+00
 -8.1236661857E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.0241129332E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7293013547E-04  8.1236661857E-05
  0.0000000000E+00  8.1236661857E-05 -1.3271498297E-04

 Crystal Tensor_qq(ke,je,3,2)
 -8.1236661857E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.1236661857E-05  1.6028702782E-04
  0.0000000000E+00  1.6028702782E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -8.1236661857E-05  1.6028702782E-04
 -8.1236661857E-05  0.0000000000E+00  0.0000000000E+00
  1.6028702782E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -8.1236661857E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.1236661857E-05  1.6028702782E-04
  0.0000000000E+00  1.6028702782E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.3271498297E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3271498297E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.4247352460E-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  3.14352E-01  3.14352E-01  3.14127E-01  3.35116E-01  3.55435E-01  3.35116E-01  3.28060E-01
   dip-dip  3.13966E-01  3.13966E-01  3.13966E-01  3.34621E-01  3.55275E-01  3.34621E-01  3.27736E-01
   qua-qua  3.85259E-04  3.85259E-04  1.60287E-04  4.95208E-04  1.60287E-04  4.95208E-04  3.24590E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.77611E-03 -7.95540E-17  5.69378E-03 -6.25805E-17
   dip-dip  0.00000E+00 -8.17938E-17  0.00000E+00 -6.71111E-17
   qua-qua  1.77611E-03  2.23987E-18  5.69378E-03  4.53059E-18

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

 Energ =  11.00000 eV

 Vmoy = -20.01858 eV, Vmftabs = -23.13719 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.895E-06  4.700E-09    2.095E-03 -5.187E-06    3.925E-04 -9.768E-07
  1  0    1  1     -2.180E-03  3.438E-05    5.562E-02 -8.779E-04    6.289E-03 -9.942E-05
  2  0    1  1      2.144E-04  2.367E-07   -8.947E-03 -9.787E-06   -1.711E-03 -1.850E-06
  3  0    1  1      2.160E-06 -6.792E-09   -1.191E-04  3.754E-07   -2.929E-05  9.268E-08
  4  0    1  1      3.501E-07 -1.890E-09   -2.370E-05  1.281E-07   -7.002E-06  3.793E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.2654133171E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2654133171E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.5321288323E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4248957519E-04  0.0000000000E+00 -3.3963484999E-05
  0.0000000000E+00  1.1880897378E-05 -1.4017736638E-05
 -3.3963484999E-05 -1.4017736638E-05 -2.4007367388E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.5304338907E-05 -1.4017736638E-05
  6.5304338907E-05  0.0000000000E+00  3.3963484999E-05
 -1.4017736638E-05  3.3963484999E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.3963484999E-05 -1.4017736638E-05  2.8779074966E-05
 -1.4017736638E-05  3.3963484999E-05  0.0000000000E+00
  2.8779074966E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.5304338907E-05 -1.4017736638E-05
  6.5304338907E-05  0.0000000000E+00  3.3963484999E-05
 -1.4017736638E-05  3.3963484999E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.1880897378E-05  0.0000000000E+00  3.3963484999E-05
  0.0000000000E+00  1.4248957519E-04  1.4017736638E-05
  3.3963484999E-05  1.4017736638E-05 -2.4007367388E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.4017736638E-05  3.3963484999E-05  0.0000000000E+00
  3.3963484999E-05  1.4017736638E-05  2.8779074966E-05
  0.0000000000E+00  2.8779074966E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.3963484999E-05 -1.4017736638E-05  2.8779074966E-05
 -1.4017736638E-05  3.3963484999E-05  0.0000000000E+00
  2.8779074966E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.4017736638E-05  3.3963484999E-05  0.0000000000E+00
  3.3963484999E-05  1.4017736638E-05  2.8779074966E-05
  0.0000000000E+00  2.8779074966E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.4007367388E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4007367388E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2385680324E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.5592479903E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5592479903E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3192772994E-01

 Crystal Tensor_qq(ke,je,1,1)
  8.5493745115E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1285384267E-05 -8.4106419828E-05
  0.0000000000E+00 -8.4106419828E-05 -1.4404420433E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.9182603344E-04 -8.4106419828E-05
  3.9182603344E-04  0.0000000000E+00  0.0000000000E+00
 -8.4106419828E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -8.4106419828E-05  1.7267444979E-04
 -8.4106419828E-05  0.0000000000E+00  0.0000000000E+00
  1.7267444979E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.9182603344E-04 -8.4106419828E-05
  3.9182603344E-04  0.0000000000E+00  0.0000000000E+00
 -8.4106419828E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  7.1285384267E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5493745115E-04  8.4106419828E-05
  0.0000000000E+00  8.4106419828E-05 -1.4404420433E-04

 Crystal Tensor_qq(ke,je,3,2)
 -8.4106419828E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4106419828E-05  1.7267444979E-04
  0.0000000000E+00  1.7267444979E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -8.4106419828E-05  1.7267444979E-04
 -8.4106419828E-05  0.0000000000E+00  0.0000000000E+00
  1.7267444979E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -8.4106419828E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4106419828E-05  1.7267444979E-04
  0.0000000000E+00  1.7267444979E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.4404420433E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4404420433E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.4314081942E-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  2.56317E-01  2.56317E-01  2.56097E-01  2.94398E-01  3.32100E-01  2.94398E-01  2.81585E-01
   dip-dip  2.55925E-01  2.55925E-01  2.55925E-01  2.93926E-01  3.31928E-01  2.93926E-01  2.81259E-01
   qua-qua  3.91826E-04  3.91826E-04  1.72674E-04  4.71542E-04  1.72674E-04  4.71542E-04  3.25423E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.82276E-03 -1.48221E-16  5.84332E-03 -1.18845E-16
   dip-dip  0.00000E+00 -1.50510E-16  0.00000E+00 -1.23492E-16
   qua-qua  1.82276E-03  2.28937E-18  5.84332E-03  4.64737E-18

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

 Energ =  12.00000 eV

 Vmoy = -20.03078 eV, Vmftabs = -23.14214 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.848E-06  4.298E-09    2.043E-03 -4.742E-06    3.827E-04 -8.934E-07
  1  0    1  1     -1.850E-03  2.533E-05    4.721E-02 -6.469E-04    5.338E-03 -7.326E-05
  2  0    1  1      2.162E-04  2.679E-07   -9.023E-03 -1.109E-05   -1.726E-03 -2.098E-06
  3  0    1  1      2.097E-06 -6.113E-09   -1.155E-04  3.380E-07   -2.843E-05  8.346E-08
  4  0    1  1      3.324E-07 -1.694E-09   -2.250E-05  1.149E-07   -6.647E-06  3.401E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.6100938228E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6100938228E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.2256600797E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4500413804E-04  0.0000000000E+00 -3.4621680183E-05
  0.0000000000E+00  1.3389814676E-05 -1.4242995149E-05
 -3.4621680183E-05 -1.4242995149E-05 -2.2963183608E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.5807161683E-05 -1.4242995149E-05
  6.5807161683E-05  0.0000000000E+00  3.4621680183E-05
 -1.4242995149E-05  3.4621680183E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.4621680183E-05 -1.4242995149E-05  3.1123201992E-05
 -1.4242995149E-05  3.4621680183E-05  0.0000000000E+00
  3.1123201992E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.5807161683E-05 -1.4242995149E-05
  6.5807161683E-05  0.0000000000E+00  3.4621680183E-05
 -1.4242995149E-05  3.4621680183E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.3389814676E-05  0.0000000000E+00  3.4621680183E-05
  0.0000000000E+00  1.4500413804E-04  1.4242995149E-05
  3.4621680183E-05  1.4242995149E-05 -2.2963183608E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.4242995149E-05  3.4621680183E-05  0.0000000000E+00
  3.4621680183E-05  1.4242995149E-05  3.1123201992E-05
  0.0000000000E+00  3.1123201992E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.4621680183E-05 -1.4242995149E-05  3.1123201992E-05
 -1.4242995149E-05  3.4621680183E-05  0.0000000000E+00
  3.1123201992E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.4242995149E-05  3.4621680183E-05  0.0000000000E+00
  3.4621680183E-05  1.4242995149E-05  3.1123201992E-05
  0.0000000000E+00  3.1123201992E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.2963183608E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.2963183608E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1284138188E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.1660562937E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1660562937E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1353960478E-01

 Crystal Tensor_qq(ke,je,1,1)
  8.7002482825E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0338888056E-05 -8.5457970891E-05
  0.0000000000E+00 -8.5457970891E-05 -1.3777910165E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.9484297010E-04 -8.5457970891E-05
  3.9484297010E-04  0.0000000000E+00  0.0000000000E+00
 -8.5457970891E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -8.5457970891E-05  1.8673921195E-04
 -8.5457970891E-05  0.0000000000E+00  0.0000000000E+00
  1.8673921195E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.9484297010E-04 -8.5457970891E-05
  3.9484297010E-04  0.0000000000E+00  0.0000000000E+00
 -8.5457970891E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  8.0338888056E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7002482825E-04  8.5457970891E-05
  0.0000000000E+00  8.5457970891E-05 -1.3777910165E-04

 Crystal Tensor_qq(ke,je,3,2)
 -8.5457970891E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5457970891E-05  1.8673921195E-04
  0.0000000000E+00  1.8673921195E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -8.5457970891E-05  1.8673921195E-04
 -8.5457970891E-05  0.0000000000E+00  0.0000000000E+00
  1.8673921195E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -8.5457970891E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.5457970891E-05  1.8673921195E-04
  0.0000000000E+00  1.8673921195E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.3777910165E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.3777910165E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7704829125E-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  2.17000E-01  2.17000E-01  2.16792E-01  2.65528E-01  3.13726E-01  2.65528E-01  2.49245E-01
   dip-dip  2.16606E-01  2.16606E-01  2.16606E-01  2.65073E-01  3.13540E-01  2.65073E-01  2.48917E-01
   qua-qua  3.94843E-04  3.94843E-04  1.86739E-04  4.55658E-04  1.86739E-04  4.55658E-04  3.27819E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.85832E-03 -1.89673E-16  5.95733E-03 -1.52791E-16
   dip-dip  0.00000E+00 -1.91985E-16  0.00000E+00 -1.57522E-16
   qua-qua  1.85832E-03  2.31218E-18  5.95733E-03  4.73080E-18

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

 Energ =  13.00000 eV

 Vmoy = -20.04422 eV, Vmftabs = -23.14701 eV

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

 iapr =  1, Z = 27, lmax = 4

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.804E-06  3.938E-09    1.994E-03 -4.345E-06    3.736E-04 -8.189E-07
  1  0    1  1     -1.603E-03  1.937E-05    4.088E-02 -4.946E-04    4.622E-03 -5.602E-05
  2  0    1  1      2.183E-04  2.965E-07   -9.109E-03 -1.228E-05   -1.743E-03 -2.326E-06
  3  0    1  1      2.040E-06 -5.515E-09   -1.124E-04  3.049E-07   -2.765E-05  7.533E-08
  4  0    1  1      3.165E-07 -1.525E-09   -2.142E-05  1.034E-07   -6.330E-06  3.062E-08

 iapr =  2, Z =  8, lmax = 3

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.2000745964E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2000745964E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.9118880419E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4882336285E-04  0.0000000000E+00 -3.4211916075E-05
  0.0000000000E+00  1.9561493774E-05 -1.3876605115E-05
 -3.4211916075E-05 -1.3876605115E-05 -2.0495445518E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.4630934537E-05 -1.3876605115E-05
  6.4630934537E-05  0.0000000000E+00  3.4211916075E-05
 -1.3876605115E-05  3.4211916075E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.4211916075E-05 -1.3876605115E-05  3.2691855057E-05
 -1.3876605115E-05  3.4211916075E-05  0.0000000000E+00
  3.2691855057E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.4630934537E-05 -1.3876605115E-05
  6.4630934537E-05  0.0000000000E+00  3.4211916075E-05
 -1.3876605115E-05  3.4211916075E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.9561493774E-05  0.0000000000E+00  3.4211916075E-05
  0.0000000000E+00  1.4882336285E-04  1.3876605115E-05
  3.4211916075E-05  1.3876605115E-05 -2.0495445518E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.3876605115E-05  3.4211916075E-05  0.0000000000E+00
  3.4211916075E-05  1.3876605115E-05  3.2691855057E-05
  0.0000000000E+00  3.2691855057E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.4211916075E-05 -1.3876605115E-05  3.2691855057E-05
 -1.3876605115E-05  3.4211916075E-05  0.0000000000E+00
  3.2691855057E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.3876605115E-05  3.4211916075E-05  0.0000000000E+00
  3.4211916075E-05  1.3876605115E-05  3.2691855057E-05
  0.0000000000E+00  3.2691855057E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -2.0495445518E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.0495445518E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0626853090E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.9200447579E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9200447579E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9471328252E-01

 Crystal Tensor_qq(ke,je,1,1)
  8.9294017710E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1736896265E-04 -8.3259630692E-05
  0.0000000000E+00 -8.3259630692E-05 -1.2297267311E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.8778560722E-04 -8.3259630692E-05
  3.8778560722E-04  0.0000000000E+00  0.0000000000E+00
 -8.3259630692E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -8.3259630692E-05  1.9615113034E-04
 -8.3259630692E-05  0.0000000000E+00  0.0000000000E+00
  1.9615113034E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.8778560722E-04 -8.3259630692E-05
  3.8778560722E-04  0.0000000000E+00  0.0000000000E+00
 -8.3259630692E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.1736896265E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9294017710E-04  8.3259630692E-05
  0.0000000000E+00  8.3259630692E-05 -1.2297267311E-04

 Crystal Tensor_qq(ke,je,3,2)
 -8.3259630692E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3259630692E-05  1.9615113034E-04
  0.0000000000E+00  1.9615113034E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -8.3259630692E-05  1.9615113034E-04
 -8.3259630692E-05  0.0000000000E+00  0.0000000000E+00
  1.9615113034E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -8.3259630692E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3259630692E-05  1.9615113034E-04
  0.0000000000E+00  1.9615113034E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.2297267311E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2297267311E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.3761118540E-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  1.92392E-01  1.92392E-01  1.92201E-01  2.43803E-01  2.94909E-01  2.43803E-01  2.26567E-01
   dip-dip  1.92004E-01  1.92004E-01  1.92004E-01  2.43359E-01  2.94713E-01  2.43359E-01  2.26241E-01
   qua-qua  3.87786E-04  3.87786E-04  1.96151E-04  4.44124E-04  1.96151E-04  4.44124E-04  3.26155E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.83656E-03 -2.01191E-16  5.88758E-03 -1.62263E-16
   dip-dip  0.00000E+00 -2.03449E-16  0.00000E+00 -1.66928E-16
   qua-qua  1.83656E-03  2.25784E-18  5.88758E-03  4.66550E-18

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

 Energ =  14.00000 eV

 Vmoy = -20.05902 eV, Vmftabs = -23.15181 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.764E-06  3.615E-09    1.950E-03 -3.988E-06    3.654E-04 -7.519E-07
  1  0    1  1     -1.410E-03  1.524E-05    3.596E-02 -3.890E-04    4.065E-03 -4.407E-05
  2  0    1  1      2.206E-04  3.226E-07   -9.204E-03 -1.337E-05   -1.761E-03 -2.534E-06
  3  0    1  1      1.988E-06 -4.985E-09   -1.096E-04  2.757E-07   -2.696E-05  6.812E-08
  4  0    1  1      3.023E-07 -1.378E-09   -2.046E-05  9.341E-08   -6.045E-06  2.766E-08
  5  0    1  1      8.881E-08 -5.845E-10   -7.096E-06  4.676E-08   -2.432E-06  1.605E-08

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.9582420980E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9582420980E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.5597745899E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5129211128E-04  0.0000000000E+00 -3.2357879554E-05
  0.0000000000E+00  2.8512785183E-05 -1.2849562778E-05
 -3.2357879554E-05 -1.2849562778E-05 -1.6705902312E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.1389663047E-05 -1.2849562778E-05
  6.1389663047E-05  0.0000000000E+00  3.2357879554E-05
 -1.2849562778E-05  3.2357879554E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -3.2357879554E-05 -1.2849562778E-05  3.2935962646E-05
 -1.2849562778E-05  3.2357879554E-05  0.0000000000E+00
  3.2935962646E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.1389663047E-05 -1.2849562778E-05
  6.1389663047E-05  0.0000000000E+00  3.2357879554E-05
 -1.2849562778E-05  3.2357879554E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.8512785183E-05  0.0000000000E+00  3.2357879554E-05
  0.0000000000E+00  1.5129211128E-04  1.2849562778E-05
  3.2357879554E-05  1.2849562778E-05 -1.6705902312E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.2849562778E-05  3.2357879554E-05  0.0000000000E+00
  3.2357879554E-05  1.2849562778E-05  3.2935962646E-05
  0.0000000000E+00  3.2935962646E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -3.2357879554E-05 -1.2849562778E-05  3.2935962646E-05
 -1.2849562778E-05  3.2357879554E-05  0.0000000000E+00
  3.2935962646E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.2849562778E-05  3.2357879554E-05  0.0000000000E+00
  3.2357879554E-05  1.2849562778E-05  3.2935962646E-05
  0.0000000000E+00  3.2935962646E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.6705902312E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.6705902312E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0272556848E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.7749452588E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7749452588E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7358647539E-01

 Crystal Tensor_qq(ke,je,1,1)
  9.0775266766E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7107671110E-04 -7.7097376666E-05
  0.0000000000E+00 -7.7097376666E-05 -1.0023541387E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.6833797828E-04 -7.7097376666E-05
  3.6833797828E-04  0.0000000000E+00  0.0000000000E+00
 -7.7097376666E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.7097376666E-05  1.9761577587E-04
 -7.7097376666E-05  0.0000000000E+00  0.0000000000E+00
  1.9761577587E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.6833797828E-04 -7.7097376666E-05
  3.6833797828E-04  0.0000000000E+00  0.0000000000E+00
 -7.7097376666E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.7107671110E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0775266766E-04  7.7097376666E-05
  0.0000000000E+00  7.7097376666E-05 -1.0023541387E-04

 Crystal Tensor_qq(ke,je,3,2)
 -7.7097376666E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.7097376666E-05  1.9761577587E-04
  0.0000000000E+00  1.9761577587E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.7097376666E-05  1.9761577587E-04
 -7.7097376666E-05  0.0000000000E+00  0.0000000000E+00
  1.9761577587E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.7097376666E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.7097376666E-05  1.9761577587E-04
  0.0000000000E+00  1.9761577587E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -1.0023541387E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.0023541387E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.1635341087E-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  1.77863E-01  1.77863E-01  1.77692E-01  2.25972E-01  2.73784E-01  2.25972E-01  2.09842E-01
   dip-dip  1.77495E-01  1.77495E-01  1.77495E-01  2.25541E-01  2.73586E-01  2.25541E-01  2.09525E-01
   qua-qua  3.68338E-04  3.68338E-04  1.97616E-04  4.31144E-04  1.97616E-04  4.31144E-04  3.16797E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.73726E-03 -1.88257E-16  5.56924E-03 -1.51791E-16
   dip-dip  0.00000E+00 -1.90367E-16  0.00000E+00 -1.56194E-16
   qua-qua  1.73726E-03  2.10939E-18  5.56924E-03  4.40312E-18

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

 Energ =  15.00000 eV

 Vmoy = -20.07548 eV, Vmftabs = -23.15653 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.727E-06  3.323E-09    1.909E-03 -3.666E-06    3.577E-04 -6.914E-07
  1  0    1  1     -1.256E-03  1.225E-05    3.202E-02 -3.128E-04    3.619E-03 -3.544E-05
  2  0    1  1      2.231E-04  3.462E-07   -9.305E-03 -1.435E-05   -1.780E-03 -2.722E-06
  3  0    1  1      1.943E-06 -4.513E-09   -1.070E-04  2.496E-07   -2.633E-05  6.171E-08
  4  0    1  1      2.895E-07 -1.249E-09   -1.959E-05  8.468E-08   -5.789E-06  2.508E-08
  5  0    1  1      8.338E-08 -5.238E-10   -6.662E-06  4.191E-08   -2.284E-06  1.439E-08

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.8320740857E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8320740857E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.1974656713E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5121099092E-04  0.0000000000E+00 -2.9432947632E-05
  0.0000000000E+00  3.7679364074E-05 -1.1414816033E-05
 -2.9432947632E-05 -1.1414816033E-05 -1.1675680282E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.6765813423E-05 -1.1414816033E-05
  5.6765813423E-05  0.0000000000E+00  2.9432947632E-05
 -1.1414816033E-05  2.9432947632E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -2.9432947632E-05 -1.1414816033E-05  3.2118582214E-05
 -1.1414816033E-05  2.9432947632E-05  0.0000000000E+00
  3.2118582214E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.6765813423E-05 -1.1414816033E-05
  5.6765813423E-05  0.0000000000E+00  2.9432947632E-05
 -1.1414816033E-05  2.9432947632E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.7679364074E-05  0.0000000000E+00  2.9432947632E-05
  0.0000000000E+00  1.5121099092E-04  1.1414816033E-05
  2.9432947632E-05  1.1414816033E-05 -1.1675680282E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.1414816033E-05  2.9432947632E-05  0.0000000000E+00
  2.9432947632E-05  1.1414816033E-05  3.2118582214E-05
  0.0000000000E+00  3.2118582214E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -2.9432947632E-05 -1.1414816033E-05  3.2118582214E-05
 -1.1414816033E-05  2.9432947632E-05  0.0000000000E+00
  3.2118582214E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.1414816033E-05  2.9432947632E-05  0.0000000000E+00
  2.9432947632E-05  1.1414816033E-05  3.2118582214E-05
  0.0000000000E+00  3.2118582214E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -1.1675680282E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1675680282E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0135503684E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.6992444514E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6992444514E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5184794028E-01

 Crystal Tensor_qq(ke,je,1,1)
  9.0726594552E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2607618445E-04 -6.8488896200E-05
  0.0000000000E+00 -6.8488896200E-05 -7.0054081691E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.4059488054E-04 -6.8488896200E-05
  3.4059488054E-04  0.0000000000E+00  0.0000000000E+00
 -6.8488896200E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -6.8488896200E-05  1.9271149328E-04
 -6.8488896200E-05  0.0000000000E+00  0.0000000000E+00
  1.9271149328E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.4059488054E-04 -6.8488896200E-05
  3.4059488054E-04  0.0000000000E+00  0.0000000000E+00
 -6.8488896200E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.2607618445E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.0726594552E-04  6.8488896200E-05
  0.0000000000E+00  6.8488896200E-05 -7.0054081691E-05

 Crystal Tensor_qq(ke,je,3,2)
 -6.8488896200E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8488896200E-05  1.9271149328E-04
  0.0000000000E+00  1.9271149328E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -6.8488896200E-05  1.9271149328E-04
 -6.8488896200E-05  0.0000000000E+00  0.0000000000E+00
  1.9271149328E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -6.8488896200E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8488896200E-05  1.9271149328E-04
  0.0000000000E+00  1.9271149328E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -7.0054081691E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.0054081691E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0813022107E-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  1.70265E-01  1.70265E-01  1.70117E-01  2.11300E-01  2.52041E-01  2.11300E-01  1.97533E-01
   dip-dip  1.69924E-01  1.69924E-01  1.69924E-01  2.10886E-01  2.51848E-01  2.10886E-01  1.97232E-01
   qua-qua  3.40595E-04  3.40595E-04  1.92711E-04  4.13876E-04  1.92711E-04  4.13876E-04  3.00983E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.58043E-03 -1.60422E-16  5.06648E-03 -1.29184E-16
   dip-dip  0.00000E+00 -1.62319E-16  0.00000E+00 -1.33181E-16
   qua-qua  1.58043E-03  1.89674E-18  5.06648E-03  3.99687E-18

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

 Energ =  16.00000 eV

 Vmoy = -20.09348 eV, Vmftabs = -23.16119 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.693E-06  3.059E-09    1.872E-03 -3.374E-06    3.507E-04 -6.367E-07
  1  0    1  1     -1.130E-03  1.003E-05    2.880E-02 -2.562E-04    3.256E-03 -2.903E-05
  2  0    1  1      2.256E-04  3.674E-07   -9.412E-03 -1.523E-05   -1.800E-03 -2.890E-06
  3  0    1  1      1.902E-06 -4.091E-09   -1.048E-04  2.264E-07   -2.577E-05  5.598E-08
  4  0    1  1      2.780E-07 -1.136E-09   -1.881E-05  7.700E-08   -5.558E-06  2.281E-08
  5  0    1  1      7.853E-08 -4.713E-10   -6.274E-06  3.770E-08   -2.151E-06  1.294E-08

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.7886631396E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7886631396E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8680073894E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4836860878E-04  0.0000000000E+00 -2.6051872558E-05
  0.0000000000E+00  4.4703588990E-05 -9.8823687521E-06
 -2.6051872558E-05 -9.8823687521E-06 -5.7255906831E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.1832509895E-05 -9.8823687521E-06
  5.1832509895E-05  0.0000000000E+00  2.6051872558E-05
 -9.8823687521E-06  2.6051872558E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -2.6051872558E-05 -9.8823687521E-06  3.0830380864E-05
 -9.8823687521E-06  2.6051872558E-05  0.0000000000E+00
  3.0830380864E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.1832509895E-05 -9.8823687521E-06
  5.1832509895E-05  0.0000000000E+00  2.6051872558E-05
 -9.8823687521E-06  2.6051872558E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  4.4703588990E-05  0.0000000000E+00  2.6051872558E-05
  0.0000000000E+00  1.4836860878E-04  9.8823687521E-06
  2.6051872558E-05  9.8823687521E-06 -5.7255906831E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -9.8823687521E-06  2.6051872558E-05  0.0000000000E+00
  2.6051872558E-05  9.8823687521E-06  3.0830380864E-05
  0.0000000000E+00  3.0830380864E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -2.6051872558E-05 -9.8823687521E-06  3.0830380864E-05
 -9.8823687521E-06  2.6051872558E-05  0.0000000000E+00
  3.0830380864E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -9.8823687521E-06  2.6051872558E-05  0.0000000000E+00
  2.6051872558E-05  9.8823687521E-06  3.0830380864E-05
  0.0000000000E+00  3.0830380864E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
 -5.7255906831E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.7255906831E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0178498470E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.6731978837E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6731978837E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3208044336E-01

 Crystal Tensor_qq(ke,je,1,1)
  8.9021165268E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6822153394E-04 -5.9294212513E-05
  0.0000000000E+00 -5.9294212513E-05 -3.4353544099E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.1099505937E-04 -5.9294212513E-05
  3.1099505937E-04  0.0000000000E+00  0.0000000000E+00
 -5.9294212513E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -5.9294212513E-05  1.8498228519E-04
 -5.9294212513E-05  0.0000000000E+00  0.0000000000E+00
  1.8498228519E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.1099505937E-04 -5.9294212513E-05
  3.1099505937E-04  0.0000000000E+00  0.0000000000E+00
 -5.9294212513E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.6822153394E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9021165268E-04  5.9294212513E-05
  0.0000000000E+00  5.9294212513E-05 -3.4353544099E-05

 Crystal Tensor_qq(ke,je,3,2)
 -5.9294212513E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9294212513E-05  1.8498228519E-04
  0.0000000000E+00  1.8498228519E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -5.9294212513E-05  1.8498228519E-04
 -5.9294212513E-05  0.0000000000E+00  0.0000000000E+00
  1.8498228519E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -5.9294212513E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9294212513E-05  1.8498228519E-04
  0.0000000000E+00  1.8498228519E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
 -3.4353544099E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.4353544099E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.1070990822E-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  1.67631E-01  1.67631E-01  1.67505E-01  2.00093E-01  2.32265E-01  2.00093E-01  1.89189E-01
   dip-dip  1.67320E-01  1.67320E-01  1.67320E-01  1.99700E-01  2.32080E-01  1.99700E-01  1.88907E-01
   qua-qua  3.10995E-04  3.10995E-04  1.84982E-04  3.92407E-04  1.84982E-04  3.92407E-04  2.82300E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.39906E-03 -1.26667E-16  4.48505E-03 -1.01762E-16
   dip-dip  0.00000E+00 -1.28330E-16  0.00000E+00 -1.05294E-16
   qua-qua  1.39906E-03  1.66256E-18  4.48505E-03  3.53160E-18

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

 Energ =  17.00000 eV

 Vmoy = -20.11323 eV, Vmftabs = -23.16578 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.662E-06  2.820E-09    1.837E-03 -3.110E-06    3.442E-04 -5.871E-07
  1  0    1  1     -1.025E-03  8.338E-06    2.614E-02 -2.129E-04    2.954E-03 -2.413E-05
  2  0    1  1      2.283E-04  3.862E-07   -9.522E-03 -1.601E-05   -1.822E-03 -3.039E-06
  3  0    1  1      1.865E-06 -3.713E-09   -1.027E-04  2.055E-07   -2.527E-05  5.084E-08
  4  0    1  1      2.676E-07 -1.036E-09   -1.810E-05  7.023E-08   -5.350E-06  2.081E-08
  5  0    1  1      7.419E-08 -4.256E-10   -5.927E-06  3.405E-08   -2.032E-06  1.169E-08

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.8100266154E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8100266154E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6080593852E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4338848464E-04  0.0000000000E+00 -2.2685967295E-05
  0.0000000000E+00  4.8432826105E-05 -8.4528674950E-06
 -2.2685967295E-05 -8.4528674950E-06  7.0346479804E-07

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.7477829269E-05 -8.4528674950E-06
  4.7477829269E-05  0.0000000000E+00  2.2685967295E-05
 -8.4528674950E-06  2.2685967295E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -2.2685967295E-05 -8.4528674950E-06  2.9598991467E-05
 -8.4528674950E-06  2.2685967295E-05  0.0000000000E+00
  2.9598991467E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.7477829269E-05 -8.4528674950E-06
  4.7477829269E-05  0.0000000000E+00  2.2685967295E-05
 -8.4528674950E-06  2.2685967295E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  4.8432826105E-05  0.0000000000E+00  2.2685967295E-05
  0.0000000000E+00  1.4338848464E-04  8.4528674950E-06
  2.2685967295E-05  8.4528674950E-06  7.0346479804E-07

 Tensor_qq(ke,je,3,2), prototypical atom
 -8.4528674950E-06  2.2685967295E-05  0.0000000000E+00
  2.2685967295E-05  8.4528674950E-06  2.9598991467E-05
  0.0000000000E+00  2.9598991467E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -2.2685967295E-05 -8.4528674950E-06  2.9598991467E-05
 -8.4528674950E-06  2.2685967295E-05  0.0000000000E+00
  2.9598991467E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -8.4528674950E-06  2.2685967295E-05  0.0000000000E+00
  2.2685967295E-05  8.4528674950E-06  2.9598991467E-05
  0.0000000000E+00  2.9598991467E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  7.0346479804E-07  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.0346479804E-07  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0423973298E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.6860159693E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6860159693E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1648356311E-01

 Crystal Tensor_qq(ke,je,1,1)
  8.6033090785E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9059695663E-04 -5.0717204970E-05
  0.0000000000E+00 -5.0717204970E-05  4.2207887882E-06

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.8486697561E-04 -5.0717204970E-05
  2.8486697561E-04  0.0000000000E+00  0.0000000000E+00
 -5.0717204970E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -5.0717204970E-05  1.7759394880E-04
 -5.0717204970E-05  0.0000000000E+00  0.0000000000E+00
  1.7759394880E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.8486697561E-04 -5.0717204970E-05
  2.8486697561E-04  0.0000000000E+00  0.0000000000E+00
 -5.0717204970E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.9059695663E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.6033090785E-04  5.0717204970E-05
  0.0000000000E+00  5.0717204970E-05  4.2207887882E-06

 Crystal Tensor_qq(ke,je,3,2)
 -5.0717204970E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0717204970E-05  1.7759394880E-04
  0.0000000000E+00  1.7759394880E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -5.0717204970E-05  1.7759394880E-04
 -5.0717204970E-05  0.0000000000E+00  0.0000000000E+00
  1.7759394880E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -5.0717204970E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0717204970E-05  1.7759394880E-04
  0.0000000000E+00  1.7759394880E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.2207887882E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2207887882E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.2543839788E-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  1.68886E-01  1.68886E-01  1.68779E-01  1.92912E-01  2.16661E-01  1.92912E-01  1.84827E-01
   dip-dip  1.68602E-01  1.68602E-01  1.68602E-01  1.92543E-01  2.16484E-01  1.92543E-01  1.84562E-01
   qua-qua  2.84867E-04  2.84867E-04  1.77594E-04  3.69332E-04  1.77594E-04  3.69332E-04  2.64482E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.21846E-03 -9.34576E-17  3.90609E-03 -7.47892E-17
   dip-dip  0.00000E+00 -9.48953E-17  0.00000E+00 -7.78607E-17
   qua-qua  1.21846E-03  1.43775E-18  3.90609E-03  3.07155E-18

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

 Energ =  18.00000 eV

 Vmoy = -20.13393 eV, Vmftabs = -23.17031 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.633E-06  2.602E-09    1.805E-03 -2.869E-06    3.382E-04 -5.420E-07
  1  0    1  1     -9.376E-04  7.025E-06    2.390E-02 -1.794E-04    2.701E-03 -2.033E-05
  2  0    1  1      2.311E-04  4.028E-07   -9.636E-03 -1.670E-05   -1.843E-03 -3.171E-06
  3  0    1  1      1.832E-06 -3.373E-09   -1.009E-04  1.867E-07   -2.482E-05  4.621E-08
  4  0    1  1      2.582E-07 -9.470E-10   -1.747E-05  6.422E-08   -5.162E-06  1.903E-08
  5  0    1  1      7.029E-08 -3.857E-10   -5.614E-06  3.086E-08   -1.925E-06  1.060E-08

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.8885236570E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8885236570E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4419683867E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3750196711E-04  0.0000000000E+00 -1.9525365356E-05
  0.0000000000E+00  4.9204385545E-05 -7.1825174307E-06
 -1.9525365356E-05 -7.1825174307E-06  7.3557356834E-06

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.4148790784E-05 -7.1825174307E-06
  4.4148790784E-05  0.0000000000E+00  1.9525365356E-05
 -7.1825174307E-06  1.9525365356E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.9525365356E-05 -7.1825174307E-06  2.8771393225E-05
 -7.1825174307E-06  1.9525365356E-05  0.0000000000E+00
  2.8771393225E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.4148790784E-05 -7.1825174307E-06
  4.4148790784E-05  0.0000000000E+00  1.9525365356E-05
 -7.1825174307E-06  1.9525365356E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  4.9204385545E-05  0.0000000000E+00  1.9525365356E-05
  0.0000000000E+00  1.3750196711E-04  7.1825174307E-06
  1.9525365356E-05  7.1825174307E-06  7.3557356834E-06

 Tensor_qq(ke,je,3,2), prototypical atom
 -7.1825174307E-06  1.9525365356E-05  0.0000000000E+00
  1.9525365356E-05  7.1825174307E-06  2.8771393225E-05
  0.0000000000E+00  2.8771393225E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.9525365356E-05 -7.1825174307E-06  2.8771393225E-05
 -7.1825174307E-06  1.9525365356E-05  0.0000000000E+00
  2.8771393225E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -7.1825174307E-06  1.9525365356E-05  0.0000000000E+00
  1.9525365356E-05  7.1825174307E-06  2.8771393225E-05
  0.0000000000E+00  2.8771393225E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  7.3557356834E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3557356834E-06  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0890622134E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.7331141942E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7331141942E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0651810320E-01

 Crystal Tensor_qq(ke,je,1,1)
  8.2501180268E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9522631327E-04 -4.3095104584E-05
  0.0000000000E+00 -4.3095104584E-05  4.4134414100E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.6489274470E-04 -4.3095104584E-05
  2.6489274470E-04  0.0000000000E+00  0.0000000000E+00
 -4.3095104584E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -4.3095104584E-05  1.7262835935E-04
 -4.3095104584E-05  0.0000000000E+00  0.0000000000E+00
  1.7262835935E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.6489274470E-04 -4.3095104584E-05
  2.6489274470E-04  0.0000000000E+00  0.0000000000E+00
 -4.3095104584E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.9522631327E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.2501180268E-04  4.3095104584E-05
  0.0000000000E+00  4.3095104584E-05  4.4134414100E-05

 Crystal Tensor_qq(ke,je,3,2)
 -4.3095104584E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3095104584E-05  1.7262835935E-04
  0.0000000000E+00  1.7262835935E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -4.3095104584E-05  1.7262835935E-04
 -4.3095104584E-05  0.0000000000E+00  0.0000000000E+00
  1.7262835935E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -4.3095104584E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3095104584E-05  1.7262835935E-04
  0.0000000000E+00  1.7262835935E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  4.4134414100E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4134414100E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.5343732807E-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  1.73576E-01  1.73576E-01  1.73484E-01  1.90262E-01  2.06691E-01  1.90262E-01  1.84630E-01
   dip-dip  1.73311E-01  1.73311E-01  1.73311E-01  1.89915E-01  2.06518E-01  1.89915E-01  1.84380E-01
   qua-qua  2.64893E-04  2.64893E-04  1.72628E-04  3.47545E-04  1.72628E-04  3.47545E-04  2.50028E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  1.04884E-03 -6.45863E-17  3.36233E-03 -5.13623E-17
   dip-dip  0.00000E+00 -6.58195E-17  0.00000E+00 -5.40043E-17
   qua-qua  1.04884E-03  1.23323E-18  3.36233E-03  2.64201E-18

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

 Energ =  19.00000 eV

 Vmoy = -20.15559 eV, Vmftabs = -23.17478 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.606E-06  2.404E-09    1.775E-03 -2.651E-06    3.326E-04 -5.009E-07
  1  0    1  1     -8.632E-04  5.987E-06    2.200E-02 -1.529E-04    2.486E-03 -1.733E-05
  2  0    1  1      2.339E-04  4.172E-07   -9.753E-03 -1.730E-05   -1.866E-03 -3.285E-06
  3  0    1  1      1.802E-06 -3.065E-09   -9.925E-05  1.697E-07   -2.442E-05  4.203E-08
  4  0    1  1      2.496E-07 -8.681E-10   -1.689E-05  5.887E-08   -4.990E-06  1.745E-08
  5  0    1  1      6.676E-08 -3.507E-10   -5.332E-06  2.806E-08   -1.828E-06  9.637E-09

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.0244901973E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0244901973E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3875610333E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3202665831E-04  0.0000000000E+00 -1.6557556911E-05
  0.0000000000E+00  4.8129729699E-05 -6.0362392862E-06
 -1.6557556911E-05 -6.0362392862E-06  1.3968381879E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.1948464305E-05 -6.0362392862E-06
  4.1948464305E-05  0.0000000000E+00  1.6557556911E-05
 -6.0362392862E-06  1.6557556911E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.6557556911E-05 -6.0362392862E-06  2.8584818521E-05
 -6.0362392862E-06  1.6557556911E-05  0.0000000000E+00
  2.8584818521E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.1948464305E-05 -6.0362392862E-06
  4.1948464305E-05  0.0000000000E+00  1.6557556911E-05
 -6.0362392862E-06  1.6557556911E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  4.8129729699E-05  0.0000000000E+00  1.6557556911E-05
  0.0000000000E+00  1.3202665831E-04  6.0362392862E-06
  1.6557556911E-05  6.0362392862E-06  1.3968381879E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -6.0362392862E-06  1.6557556911E-05  0.0000000000E+00
  1.6557556911E-05  6.0362392862E-06  2.8584818521E-05
  0.0000000000E+00  2.8584818521E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.6557556911E-05 -6.0362392862E-06  2.8584818521E-05
 -6.0362392862E-06  1.6557556911E-05  0.0000000000E+00
  2.8584818521E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -6.0362392862E-06  1.6557556911E-05  0.0000000000E+00
  1.6557556911E-05  6.0362392862E-06  2.8584818521E-05
  0.0000000000E+00  2.8584818521E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  1.3968381879E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3968381879E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1533832971E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8146941184E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8146941184E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0325366200E-01

 Crystal Tensor_qq(ke,je,1,1)
  7.9215994985E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8877837819E-04 -3.6217435717E-05
  0.0000000000E+00 -3.6217435717E-05  8.3810291274E-05

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.5169078583E-04 -3.6217435717E-05
  2.5169078583E-04  0.0000000000E+00  0.0000000000E+00
 -3.6217435717E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -3.6217435717E-05  1.7150891113E-04
 -3.6217435717E-05  0.0000000000E+00  0.0000000000E+00
  1.7150891113E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.5169078583E-04 -3.6217435717E-05
  2.5169078583E-04  0.0000000000E+00  0.0000000000E+00
 -3.6217435717E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.8877837819E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9215994985E-04  3.6217435717E-05
  0.0000000000E+00  3.6217435717E-05  8.3810291274E-05

 Crystal Tensor_qq(ke,je,3,2)
 -3.6217435717E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6217435717E-05  1.7150891113E-04
  0.0000000000E+00  1.7150891113E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -3.6217435717E-05  1.7150891113E-04
 -3.6217435717E-05  0.0000000000E+00  0.0000000000E+00
  1.7150891113E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -3.6217435717E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6217435717E-05  1.7150891113E-04
  0.0000000000E+00  1.7150891113E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  8.3810291274E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3810291274E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.9202997829E-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  1.81721E-01  1.81721E-01  1.81641E-01  1.92691E-01  2.03425E-01  1.92691E-01  1.88971E-01
   dip-dip  1.81469E-01  1.81469E-01  1.81469E-01  1.92362E-01  2.03254E-01  1.92362E-01  1.88731E-01
   qua-qua  2.51691E-04  2.51691E-04  1.71509E-04  3.29142E-04  1.71509E-04  3.29142E-04  2.40272E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  8.89534E-04 -4.21387E-17  2.85163E-03 -3.31921E-17
   dip-dip  0.00000E+00 -4.31845E-17  0.00000E+00 -3.54325E-17
   qua-qua  8.89534E-04  1.04585E-18  2.85163E-03  2.24034E-18

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

 Energ =  20.00000 eV

 Vmoy = -20.17746 eV, Vmftabs = -23.17918 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.581E-06  2.224E-09    1.748E-03 -2.451E-06    3.275E-04 -4.635E-07
  1  0    1  1     -7.997E-04  5.158E-06    2.038E-02 -1.317E-04    2.303E-03 -1.493E-05
  2  0    1  1      2.368E-04  4.297E-07   -9.873E-03 -1.782E-05   -1.889E-03 -3.384E-06
  3  0    1  1      1.775E-06 -2.785E-09   -9.777E-05  1.543E-07   -2.406E-05  3.822E-08
  4  0    1  1      2.418E-07 -7.975E-10   -1.635E-05  5.409E-08   -4.833E-06  1.603E-08
  5  0    1  1      6.356E-08 -3.198E-10   -5.076E-06  2.558E-08   -1.740E-06  8.788E-09

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.2243404657E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2243404657E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4621473232E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2777699743E-04  0.0000000000E+00 -1.3679188251E-05
  0.0000000000E+00  4.6129108934E-05 -4.9451028749E-06
 -1.3679188251E-05 -4.9451028749E-06  2.0077672952E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.0823944250E-05 -4.9451028749E-06
  4.0823944250E-05  0.0000000000E+00  1.3679188251E-05
 -4.9451028749E-06  1.3679188251E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.3679188251E-05 -4.9451028749E-06  2.9249499707E-05
 -4.9451028749E-06  1.3679188251E-05  0.0000000000E+00
  2.9249499707E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.0823944250E-05 -4.9451028749E-06
  4.0823944250E-05  0.0000000000E+00  1.3679188251E-05
 -4.9451028749E-06  1.3679188251E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  4.6129108934E-05  0.0000000000E+00  1.3679188251E-05
  0.0000000000E+00  1.2777699743E-04  4.9451028749E-06
  1.3679188251E-05  4.9451028749E-06  2.0077672952E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -4.9451028749E-06  1.3679188251E-05  0.0000000000E+00
  1.3679188251E-05  4.9451028749E-06  2.9249499707E-05
  0.0000000000E+00  2.9249499707E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.3679188251E-05 -4.9451028749E-06  2.9249499707E-05
 -4.9451028749E-06  1.3679188251E-05  0.0000000000E+00
  2.9249499707E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -4.9451028749E-06  1.3679188251E-05  0.0000000000E+00
  1.3679188251E-05  4.9451028749E-06  2.9249499707E-05
  0.0000000000E+00  2.9249499707E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.0077672952E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0077672952E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2265436556E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.9346042794E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9346042794E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0772883939E-01

 Crystal Tensor_qq(ke,je,1,1)
  7.6666198461E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7677465361E-04 -2.9670617249E-05
  0.0000000000E+00 -2.9670617249E-05  1.2046603771E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.4494366550E-04 -2.9670617249E-05
  2.4494366550E-04  0.0000000000E+00  0.0000000000E+00
 -2.9670617249E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.9670617249E-05  1.7549699824E-04
 -2.9670617249E-05  0.0000000000E+00  0.0000000000E+00
  1.7549699824E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.4494366550E-04 -2.9670617249E-05
  2.4494366550E-04  0.0000000000E+00  0.0000000000E+00
 -2.9670617249E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.7677465361E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.6666198461E-04  2.9670617249E-05
  0.0000000000E+00  2.9670617249E-05  1.2046603771E-04

 Crystal Tensor_qq(ke,je,3,2)
 -2.9670617249E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9670617249E-05  1.7549699824E-04
  0.0000000000E+00  1.7549699824E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.9670617249E-05  1.7549699824E-04
 -2.9670617249E-05  0.0000000000E+00  0.0000000000E+00
  1.7549699824E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.9670617249E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9670617249E-05  1.7549699824E-04
  0.0000000000E+00  1.7549699824E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.2046603771E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2046603771E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.3592619339E-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  1.93705E-01  1.93705E-01  1.93636E-01  2.00910E-01  2.07904E-01  2.00910E-01  1.98453E-01
   dip-dip  1.93460E-01  1.93460E-01  1.93460E-01  2.00595E-01  2.07729E-01  2.00595E-01  1.98217E-01
   qua-qua  2.44944E-04  2.44944E-04  1.75497E-04  3.15414E-04  1.75497E-04  3.15414E-04  2.35957E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  7.34992E-04 -2.74227E-17  2.35621E-03 -2.13594E-17
   dip-dip  0.00000E+00 -2.82890E-17  0.00000E+00 -2.32108E-17
   qua-qua  7.34992E-04  8.66243E-19  2.35621E-03  1.85148E-18

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

 Energ =  21.00000 eV

 Vmoy = -20.19781 eV, Vmftabs = -23.18354 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.558E-06  2.061E-09    1.723E-03 -2.271E-06    3.227E-04 -4.297E-07
  1  0    1  1     -7.464E-04  4.511E-06    1.902E-02 -1.152E-04    2.149E-03 -1.306E-05
  2  0    1  1      2.403E-04  4.431E-07   -1.002E-02 -1.837E-05   -1.916E-03 -3.490E-06
  3  0    1  1      1.748E-06 -2.522E-09   -9.628E-05  1.397E-07   -2.369E-05  3.465E-08
  4  0    1  1      2.340E-07 -7.321E-10   -1.583E-05  4.965E-08   -4.679E-06  1.472E-08
  5  0    1  1      6.047E-08 -2.916E-10   -4.829E-06  2.333E-08   -1.656E-06  8.014E-09

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.4944257436E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4944257436E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6732137476E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2491891802E-04  0.0000000000E+00 -1.0744742820E-05
  0.0000000000E+00  4.3470562273E-05 -3.8328803865E-06
 -1.0744742820E-05 -3.8328803865E-06  2.5144940980E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.0724177874E-05 -3.8328803865E-06
  4.0724177874E-05  0.0000000000E+00  1.0744742820E-05
 -3.8328803865E-06  1.0744742820E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -1.0744742820E-05 -3.8328803865E-06  3.1006682329E-05
 -3.8328803865E-06  1.0744742820E-05  0.0000000000E+00
  3.1006682329E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.0724177874E-05 -3.8328803865E-06
  4.0724177874E-05  0.0000000000E+00  1.0744742820E-05
 -3.8328803865E-06  1.0744742820E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  4.3470562273E-05  0.0000000000E+00  1.0744742820E-05
  0.0000000000E+00  1.2491891802E-04  3.8328803865E-06
  1.0744742820E-05  3.8328803865E-06  2.5144940980E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -3.8328803865E-06  1.0744742820E-05  0.0000000000E+00
  1.0744742820E-05  3.8328803865E-06  3.1006682329E-05
  0.0000000000E+00  3.1006682329E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -1.0744742820E-05 -3.8328803865E-06  3.1006682329E-05
 -3.8328803865E-06  1.0744742820E-05  0.0000000000E+00
  3.1006682329E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -3.8328803865E-06  1.0744742820E-05  0.0000000000E+00
  1.0744742820E-05  3.8328803865E-06  3.1006682329E-05
  0.0000000000E+00  3.1006682329E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.5144940980E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5144940980E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3002405871E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0966554461E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0966554461E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2039282485E-01

 Crystal Tensor_qq(ke,je,1,1)
  7.4951350813E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6082337364E-04 -2.2997282319E-05
  0.0000000000E+00 -2.2997282319E-05  1.5086964588E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.4434506725E-04 -2.2997282319E-05
  2.4434506725E-04  0.0000000000E+00  0.0000000000E+00
 -2.2997282319E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -2.2997282319E-05  1.8604009398E-04
 -2.2997282319E-05  0.0000000000E+00  0.0000000000E+00
  1.8604009398E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.4434506725E-04 -2.2997282319E-05
  2.4434506725E-04  0.0000000000E+00  0.0000000000E+00
 -2.2997282319E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.6082337364E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.4951350813E-04  2.2997282319E-05
  0.0000000000E+00  2.2997282319E-05  1.5086964588E-04

 Crystal Tensor_qq(ke,je,3,2)
 -2.2997282319E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2997282319E-05  1.8604009398E-04
  0.0000000000E+00  1.8604009398E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -2.2997282319E-05  1.8604009398E-04
 -2.2997282319E-05  0.0000000000E+00  0.0000000000E+00
  1.8604009398E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -2.2997282319E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2997282319E-05  1.8604009398E-04
  0.0000000000E+00  1.8604009398E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.5086964588E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5086964588E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.8014435229E-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  2.09910E-01  2.09910E-01  2.09852E-01  2.15336E-01  2.20579E-01  2.15336E-01  2.13479E-01
   dip-dip  2.09666E-01  2.09666E-01  2.09666E-01  2.15029E-01  2.20393E-01  2.15029E-01  2.13241E-01
   qua-qua  2.44345E-04  2.44345E-04  1.86040E-04  3.06980E-04  1.86040E-04  3.06980E-04  2.37726E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  5.77397E-04 -2.05881E-17  1.85100E-03 -1.59978E-17
   dip-dip  0.00000E+00 -2.12710E-17  0.00000E+00 -1.74526E-17
   qua-qua  5.77397E-04  6.82834E-19  1.85100E-03  1.45485E-18

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

 Energ =  22.00000 eV

 Vmoy = -20.21451 eV, Vmftabs = -23.19301 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.537E-06  1.913E-09    1.699E-03 -2.107E-06    3.183E-04 -3.990E-07
  1  0    1  1     -7.010E-04  3.994E-06    1.786E-02 -1.020E-04    2.018E-03 -1.157E-05
  2  0    1  1      2.443E-04  4.571E-07   -1.019E-02 -1.895E-05   -1.949E-03 -3.600E-06
  3  0    1  1      1.722E-06 -2.276E-09   -9.481E-05  1.262E-07   -2.333E-05  3.130E-08
  4  0    1  1      2.265E-07 -6.716E-10   -1.532E-05  4.555E-08   -4.527E-06  1.351E-08
  5  0    1  1      5.750E-08 -2.658E-10   -4.591E-06  2.126E-08   -1.574E-06  7.305E-09

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.8313454429E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8313454429E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9736752351E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2346947326E-04  0.0000000000E+00 -7.6138283745E-06
  0.0000000000E+00  4.0336546331E-05 -2.6381969356E-06
 -7.6138283745E-06 -2.6381969356E-06  2.8873811019E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.1566463467E-05 -2.6381969356E-06
  4.1566463467E-05  0.0000000000E+00  7.6138283745E-06
 -2.6381969356E-06  7.6138283745E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -7.6138283745E-06 -2.6381969356E-06  3.4053880073E-05
 -2.6381969356E-06  7.6138283745E-06  0.0000000000E+00
  3.4053880073E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.1566463467E-05 -2.6381969356E-06
  4.1566463467E-05  0.0000000000E+00  7.6138283745E-06
 -2.6381969356E-06  7.6138283745E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  4.0336546331E-05  0.0000000000E+00  7.6138283745E-06
  0.0000000000E+00  1.2346947326E-04  2.6381969356E-06
  7.6138283745E-06  2.6381969356E-06  2.8873811019E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -2.6381969356E-06  7.6138283745E-06  0.0000000000E+00
  7.6138283745E-06  2.6381969356E-06  3.4053880073E-05
  0.0000000000E+00  3.4053880073E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -7.6138283745E-06 -2.6381969356E-06  3.4053880073E-05
 -2.6381969356E-06  7.6138283745E-06  0.0000000000E+00
  3.4053880073E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -2.6381969356E-06  7.6138283745E-06  0.0000000000E+00
  7.6138283745E-06  2.6381969356E-06  3.4053880073E-05
  0.0000000000E+00  3.4053880073E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.8873811019E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8873811019E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3688820067E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.2988072658E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2988072658E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3842051410E-01

 Crystal Tensor_qq(ke,je,1,1)
  7.4081683959E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4201927799E-04 -1.5829181614E-05
  0.0000000000E+00 -1.5829181614E-05  1.7324286611E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.4939878080E-04 -1.5829181614E-05
  2.4939878080E-04  0.0000000000E+00  0.0000000000E+00
 -1.5829181614E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -1.5829181614E-05  2.0432328044E-04
 -1.5829181614E-05  0.0000000000E+00  0.0000000000E+00
  2.0432328044E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.4939878080E-04 -1.5829181614E-05
  2.4939878080E-04  0.0000000000E+00  0.0000000000E+00
 -1.5829181614E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.4201927799E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.4081683959E-04  1.5829181614E-05
  0.0000000000E+00  1.5829181614E-05  1.7324286611E-04

 Crystal Tensor_qq(ke,je,3,2)
 -1.5829181614E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5829181614E-05  2.0432328044E-04
  0.0000000000E+00  2.0432328044E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -1.5829181614E-05  2.0432328044E-04
 -1.5829181614E-05  0.0000000000E+00  0.0000000000E+00
  2.0432328044E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -1.5829181614E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5829181614E-05  2.0432328044E-04
  0.0000000000E+00  2.0432328044E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.7324286611E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7324286611E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.2132920401E-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  2.30130E-01  2.30130E-01  2.30085E-01  2.34455E-01  2.38625E-01  2.34455E-01  2.32973E-01
   dip-dip  2.29881E-01  2.29881E-01  2.29881E-01  2.34151E-01  2.38421E-01  2.34151E-01  2.32727E-01
   qua-qua  2.49399E-04  2.49399E-04  2.04323E-04  3.03915E-04  2.04323E-04  3.03915E-04  2.45906E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  4.09202E-04 -1.64506E-17  1.31180E-03 -1.28647E-17
   dip-dip  0.00000E+00 -1.69356E-17  0.00000E+00 -1.38955E-17
   qua-qua  4.09202E-04  4.85036E-19  1.31180E-03  1.03086E-18

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

 Energ =  23.00000 eV

 Vmoy = -20.22863 eV, Vmftabs = -23.22239 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.517E-06  1.778E-09    1.678E-03 -1.958E-06    3.143E-04 -3.709E-07
  1  0    1  1     -6.615E-04  3.565E-06    1.685E-02 -9.105E-05    1.903E-03 -1.033E-05
  2  0    1  1      2.487E-04  4.704E-07   -1.037E-02 -1.950E-05   -1.983E-03 -3.705E-06
  3  0    1  1      1.697E-06 -2.049E-09   -9.344E-05  1.136E-07   -2.299E-05  2.822E-08
  4  0    1  1      2.193E-07 -6.167E-10   -1.483E-05  4.183E-08   -4.384E-06  1.241E-08
  5  0    1  1      5.473E-08 -2.427E-10   -4.370E-06  1.941E-08   -1.499E-06  6.671E-09

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.1899560427E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1899560427E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.1813654250E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2317444487E-04  0.0000000000E+00 -4.0985607178E-06
  0.0000000000E+00  3.6467437764E-05 -1.2980678371E-06
 -4.0985607178E-06 -1.2980678371E-06  3.1156792657E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.3353503552E-05 -1.2980678371E-06
  4.3353503552E-05  0.0000000000E+00  4.0985607178E-06
 -1.2980678371E-06  4.0985607178E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
 -4.0985607178E-06 -1.2980678371E-06  3.8630599964E-05
 -1.2980678371E-06  4.0985607178E-06  0.0000000000E+00
  3.8630599964E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.3353503552E-05 -1.2980678371E-06
  4.3353503552E-05  0.0000000000E+00  4.0985607178E-06
 -1.2980678371E-06  4.0985607178E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.6467437764E-05  0.0000000000E+00  4.0985607178E-06
  0.0000000000E+00  1.2317444487E-04  1.2980678371E-06
  4.0985607178E-06  1.2980678371E-06  3.1156792657E-05

 Tensor_qq(ke,je,3,2), prototypical atom
 -1.2980678371E-06  4.0985607178E-06  0.0000000000E+00
  4.0985607178E-06  1.2980678371E-06  3.8630599964E-05
  0.0000000000E+00  3.8630599964E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
 -4.0985607178E-06 -1.2980678371E-06  3.8630599964E-05
 -1.2980678371E-06  4.0985607178E-06  0.0000000000E+00
  3.8630599964E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
 -1.2980678371E-06  4.0985607178E-06  0.0000000000E+00
  4.0985607178E-06  1.2980678371E-06  3.8630599964E-05
  0.0000000000E+00  3.8630599964E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  3.1156792657E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1156792657E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4295532351E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.5139736256E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5139736256E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5088192550E-01

 Crystal Tensor_qq(ke,je,1,1)
  7.3904666921E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1880462659E-04 -7.7884070225E-06
  0.0000000000E+00 -7.7884070225E-06  1.8694075594E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.6012102131E-04 -7.7884070225E-06
  2.6012102131E-04  0.0000000000E+00  0.0000000000E+00
 -7.7884070225E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00 -7.7884070225E-06  2.3178359978E-04
 -7.7884070225E-06  0.0000000000E+00  0.0000000000E+00
  2.3178359978E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.6012102131E-04 -7.7884070225E-06
  2.6012102131E-04  0.0000000000E+00  0.0000000000E+00
 -7.7884070225E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  2.1880462659E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3904666921E-04  7.7884070225E-06
  0.0000000000E+00  7.7884070225E-06  1.8694075594E-04

 Crystal Tensor_qq(ke,je,3,2)
 -7.7884070225E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.7884070225E-06  2.3178359978E-04
  0.0000000000E+00  2.3178359978E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00 -7.7884070225E-06  2.3178359978E-04
 -7.7884070225E-06  0.0000000000E+00  0.0000000000E+00
  2.3178359978E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
 -7.7884070225E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.7884070225E-06  2.3178359978E-04
  0.0000000000E+00  2.3178359978E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.8694075594E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8694075594E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.5773194107E-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  2.51657E-01  2.51657E-01  2.51629E-01  2.51445E-01  2.51114E-01  2.51445E-01  2.51486E-01
   dip-dip  2.51397E-01  2.51397E-01  2.51397E-01  2.51140E-01  2.50882E-01  2.51140E-01  2.51226E-01
   qua-qua  2.60121E-04  2.60121E-04  2.31784E-04  3.05724E-04  2.31784E-04  3.05724E-04  2.60947E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs  2.20304E-04  1.28294E-18  7.06241E-04  1.39283E-18
   dip-dip  0.00000E+00  1.02232E-18  0.00000E+00  8.38802E-19
   qua-qua  2.20304E-04  2.60622E-19  7.06241E-04  5.54023E-19

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

 Energ =  24.00000 eV

 Vmoy = -20.24077 eV, Vmftabs = -23.25144 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.499E-06  1.653E-09    1.658E-03 -1.821E-06    3.105E-04 -3.451E-07
  1  0    1  1     -6.265E-04  3.204E-06    1.596E-02 -8.182E-05    1.802E-03 -9.282E-06
  2  0    1  1      2.534E-04  4.828E-07   -1.056E-02 -2.001E-05   -2.021E-03 -3.802E-06
  3  0    1  1      1.674E-06 -1.839E-09   -9.217E-05  1.021E-07   -2.268E-05  2.538E-08
  4  0    1  1      2.127E-07 -5.669E-10   -1.438E-05  3.846E-08   -4.251E-06  1.141E-08
  5  0    1  1      5.219E-08 -2.220E-10   -4.166E-06  1.776E-08   -1.429E-06  6.104E-09

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 4

 iapr =  4, Z = 20, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.4737228493E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4737228493E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0863189470E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2389359980E-04  0.0000000000E+00  1.2165042013E-08
  0.0000000000E+00  3.1665531390E-05  2.4391543290E-07
  1.2165042013E-08  2.4391543290E-07  3.2090550715E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.6114034206E-05  2.4391543290E-07
  4.6114034206E-05  0.0000000000E+00 -1.2165042013E-08
  2.4391543290E-07 -1.2165042013E-08  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.2165042013E-08  2.4391543290E-07  4.5014404218E-05
  2.4391543290E-07 -1.2165042013E-08  0.0000000000E+00
  4.5014404218E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.6114034206E-05  2.4391543290E-07
  4.6114034206E-05  0.0000000000E+00 -1.2165042013E-08
  2.4391543290E-07 -1.2165042013E-08  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  3.1665531390E-05  0.0000000000E+00 -1.2165042013E-08
  0.0000000000E+00  1.2389359980E-04 -2.4391543290E-07
 -1.2165042013E-08 -2.4391543290E-07  3.2090550715E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.4391543290E-07 -1.2165042013E-08  0.0000000000E+00
 -1.2165042013E-08 -2.4391543290E-07  4.5014404218E-05
  0.0000000000E+00  4.5014404218E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.2165042013E-08  2.4391543290E-07  4.5014404218E-05
  2.4391543290E-07 -1.2165042013E-08  0.0000000000E+00
  4.5014404218E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.4391543290E-07 -1.2165042013E-08  0.0000000000E+00
 -1.2165042013E-08 -2.4391543290E-07  4.5014404218E-05
  0.0000000000E+00  4.5014404218E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  3.2090550715E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2090550715E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4810944238E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.6842337096E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6842337096E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4517913682E-01

 Crystal Tensor_qq(ke,je,1,1)
  7.4336159881E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8999318834E-04  1.4634925974E-06
  0.0000000000E+00  1.4634925974E-06  1.9254330429E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.7668420524E-04  1.4634925974E-06
  2.7668420524E-04  0.0000000000E+00  0.0000000000E+00
  1.4634925974E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.4634925974E-06  2.7008642531E-04
  1.4634925974E-06  0.0000000000E+00  0.0000000000E+00
  2.7008642531E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.7668420524E-04  1.4634925974E-06
  2.7668420524E-04  0.0000000000E+00  0.0000000000E+00
  1.4634925974E-06  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.8999318834E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.4336159881E-04 -1.4634925974E-06
  0.0000000000E+00 -1.4634925974E-06  1.9254330429E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.4634925974E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4634925974E-06  2.7008642531E-04
  0.0000000000E+00  2.7008642531E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.4634925974E-06  2.7008642531E-04
  1.4634925974E-06  0.0000000000E+00  0.0000000000E+00
  2.7008642531E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.4634925974E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.4634925974E-06  2.7008642531E-04
  0.0000000000E+00  2.7008642531E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.9254330429E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9254330429E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.8865665427E-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  2.68700E-01  2.68700E-01  2.68693E-01  2.57113E-01  2.45449E-01  2.57113E-01  2.60959E-01
   dip-dip  2.68423E-01  2.68423E-01  2.68423E-01  2.56801E-01  2.45179E-01  2.56801E-01  2.60675E-01
   qua-qua  2.76684E-04  2.76684E-04  2.70086E-04  3.11733E-04  2.70086E-04  3.11733E-04  2.83391E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -6.53974E-07  4.61052E-17 -2.09648E-06  3.78277E-17
   dip-dip  0.00000E+00  4.61086E-17  0.00000E+00  3.78316E-17
   qua-qua -6.53974E-07 -3.32019E-21 -2.09648E-06 -3.94999E-21

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

 Energ =  25.00000 eV

 Vmoy = -20.24995 eV, Vmftabs = -23.28015 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.483E-06  1.539E-09    1.639E-03 -1.695E-06    3.071E-04 -3.215E-07
  1  0    1  1     -5.955E-04  2.898E-06    1.517E-02 -7.400E-05    1.713E-03 -8.395E-06
  2  0    1  1      2.584E-04  4.944E-07   -1.077E-02 -2.050E-05   -2.060E-03 -3.894E-06
  3  0    1  1      1.653E-06 -1.646E-09   -9.098E-05  9.146E-08   -2.239E-05  2.275E-08
  4  0    1  1      2.065E-07 -5.216E-10   -1.396E-05  3.539E-08   -4.127E-06  1.050E-08
  5  0    1  1      4.982E-08 -2.035E-10   -3.977E-06  1.628E-08   -1.364E-06  5.595E-09

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 5

 iapr =  4, Z = 20, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.5769197386E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5769197386E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7441604264E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2562949237E-04  0.0000000000E+00  4.9518485445E-06
  0.0000000000E+00  2.5784669308E-05  2.0426991793E-06
  4.9518485445E-06  2.0426991793E-06  3.1894097196E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  4.9922411533E-05  2.0426991793E-06
  4.9922411533E-05  0.0000000000E+00 -4.9518485445E-06
  2.0426991793E-06 -4.9518485445E-06  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  4.9518485445E-06  2.0426991793E-06  5.3560733844E-05
  2.0426991793E-06 -4.9518485445E-06  0.0000000000E+00
  5.3560733844E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  4.9922411533E-05  2.0426991793E-06
  4.9922411533E-05  0.0000000000E+00 -4.9518485445E-06
  2.0426991793E-06 -4.9518485445E-06  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  2.5784669308E-05  0.0000000000E+00 -4.9518485445E-06
  0.0000000000E+00  1.2562949237E-04 -2.0426991793E-06
 -4.9518485445E-06 -2.0426991793E-06  3.1894097196E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  2.0426991793E-06 -4.9518485445E-06  0.0000000000E+00
 -4.9518485445E-06 -2.0426991793E-06  5.3560733844E-05
  0.0000000000E+00  5.3560733844E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  4.9518485445E-06  2.0426991793E-06  5.3560733844E-05
  2.0426991793E-06 -4.9518485445E-06  0.0000000000E+00
  5.3560733844E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  2.0426991793E-06 -4.9518485445E-06  0.0000000000E+00
 -4.9518485445E-06 -2.0426991793E-06  5.3560733844E-05
  0.0000000000E+00  5.3560733844E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  3.1894097196E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1894097196E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5223896113E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.7461518431E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7461518431E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2464962558E-01

 Crystal Tensor_qq(ke,je,1,1)
  7.5377695425E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5470801585E-04  1.2256195076E-05
  0.0000000000E+00  1.2256195076E-05  1.9136458318E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  2.9953446920E-04  1.2256195076E-05
  2.9953446920E-04  0.0000000000E+00  0.0000000000E+00
  1.2256195076E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  1.2256195076E-05  3.2136440306E-04
  1.2256195076E-05  0.0000000000E+00  0.0000000000E+00
  3.2136440306E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  2.9953446920E-04  1.2256195076E-05
  2.9953446920E-04  0.0000000000E+00  0.0000000000E+00
  1.2256195076E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.5470801585E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5377695425E-04 -1.2256195076E-05
  0.0000000000E+00 -1.2256195076E-05  1.9136458318E-04

 Crystal Tensor_qq(ke,je,3,2)
  1.2256195076E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2256195076E-05  3.2136440306E-04
  0.0000000000E+00  3.2136440306E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  1.2256195076E-05  3.2136440306E-04
  1.2256195076E-05  0.0000000000E+00  0.0000000000E+00
  3.2136440306E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  1.2256195076E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.2256195076E-05  3.2136440306E-04
  0.0000000000E+00  3.2136440306E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.9136458318E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9136458318E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.1343376675E-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  2.74915E-01  2.74915E-01  2.74937E-01  2.49954E-01  2.24971E-01  2.49954E-01  2.58274E-01
   dip-dip  2.74615E-01  2.74615E-01  2.74615E-01  2.49632E-01  2.24650E-01  2.49632E-01  2.57960E-01
   qua-qua  2.99534E-04  2.99534E-04  3.21364E-04  3.21120E-04  3.21364E-04  3.21120E-04  3.14023E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.66238E-04  9.88065E-17 -8.53496E-04  8.06588E-17
   dip-dip  0.00000E+00  9.91273E-17  0.00000E+00  8.13330E-17
   qua-qua -2.66238E-04 -3.20762E-19 -8.53496E-04 -6.74208E-19

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

 Energ =  26.00000 eV

 Vmoy = -20.25698 eV, Vmftabs = -23.30854 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.467E-06  1.434E-09    1.622E-03 -1.578E-06    3.039E-04 -2.996E-07
  1  0    1  1     -5.678E-04  2.634E-06    1.446E-02 -6.727E-05    1.633E-03 -7.632E-06
  2  0    1  1      2.637E-04  5.051E-07   -1.099E-02 -2.093E-05   -2.102E-03 -3.977E-06
  3  0    1  1      1.633E-06 -1.467E-09   -8.988E-05  8.160E-08   -2.212E-05  2.032E-08
  4  0    1  1      2.007E-07 -4.804E-10   -1.357E-05  3.259E-08   -4.010E-06  9.675E-09
  5  0    1  1      4.763E-08 -1.868E-10   -3.802E-06  1.494E-08   -1.304E-06  5.137E-09

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 5

 iapr =  4, Z = 20, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.4655077291E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4655077291E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3736989853E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.2854803235E-04  0.0000000000E+00  1.0914626761E-05
  0.0000000000E+00  1.8667598105E-05  4.1428324594E-06
  1.0914626761E-05  4.1428324594E-06  3.0884035274E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  5.4940217122E-05  4.1428324594E-06
  5.4940217122E-05  0.0000000000E+00 -1.0914626761E-05
  4.1428324594E-06 -1.0914626761E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.0914626761E-05  4.1428324594E-06  6.4516061186E-05
  4.1428324594E-06 -1.0914626761E-05  0.0000000000E+00
  6.4516061186E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  5.4940217122E-05  4.1428324594E-06
  5.4940217122E-05  0.0000000000E+00 -1.0914626761E-05
  4.1428324594E-06 -1.0914626761E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.8667598105E-05  0.0000000000E+00 -1.0914626761E-05
  0.0000000000E+00  1.2854803235E-04 -4.1428324594E-06
 -1.0914626761E-05 -4.1428324594E-06  3.0884035274E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  4.1428324594E-06 -1.0914626761E-05  0.0000000000E+00
 -1.0914626761E-05 -4.1428324594E-06  6.4516061186E-05
  0.0000000000E+00  6.4516061186E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.0914626761E-05  4.1428324594E-06  6.4516061186E-05
  4.1428324594E-06 -1.0914626761E-05  0.0000000000E+00
  6.4516061186E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  4.1428324594E-06 -1.0914626761E-05  0.0000000000E+00
 -1.0914626761E-05 -4.1428324594E-06  6.4516061186E-05
  0.0000000000E+00  6.4516061186E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  3.0884035274E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0884035274E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5535330133E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.6793046375E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6793046375E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0242193912E-01

 Crystal Tensor_qq(ke,je,1,1)
  7.7128819409E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1200558863E-04  2.4856994757E-05
  0.0000000000E+00  2.4856994757E-05  1.8530421164E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.2964130273E-04  2.4856994757E-05
  3.2964130273E-04  0.0000000000E+00  0.0000000000E+00
  2.4856994757E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  2.4856994757E-05  3.8709636712E-04
  2.4856994757E-05  0.0000000000E+00  0.0000000000E+00
  3.8709636712E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.2964130273E-04  2.4856994757E-05
  3.2964130273E-04  0.0000000000E+00  0.0000000000E+00
  2.4856994757E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  1.1200558863E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.7128819409E-04 -2.4856994757E-05
  0.0000000000E+00 -2.4856994757E-05  1.8530421164E-04

 Crystal Tensor_qq(ke,je,3,2)
  2.4856994757E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4856994757E-05  3.8709636712E-04
  0.0000000000E+00  3.8709636712E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  2.4856994757E-05  3.8709636712E-04
  2.4856994757E-05  0.0000000000E+00  0.0000000000E+00
  3.8709636712E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  2.4856994757E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -2.4856994757E-05  3.8709636712E-04
  0.0000000000E+00  3.8709636712E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.8530421164E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8530421164E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.3211980798E-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  2.68260E-01  2.68260E-01  2.68318E-01  2.35509E-01  2.02809E-01  2.35509E-01  2.46448E-01
   dip-dip  2.67930E-01  2.67930E-01  2.67930E-01  2.35176E-01  2.02422E-01  2.35176E-01  2.46094E-01
   qua-qua  3.29641E-04  3.29641E-04  3.87096E-04  3.33200E-04  3.87096E-04  3.33200E-04  3.53572E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -5.86906E-04  1.29278E-16 -1.88148E-03  1.05165E-16
   dip-dip  0.00000E+00  1.29980E-16  0.00000E+00  1.06647E-16
   qua-qua -5.86906E-04 -7.02186E-19 -1.88148E-03 -1.48233E-18

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

 Energ =  27.00000 eV

 Vmoy = -20.26036 eV, Vmftabs = -23.33661 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.453E-06  1.336E-09    1.606E-03 -1.471E-06    3.009E-04 -2.794E-07
  1  0    1  1     -5.429E-04  2.407E-06    1.382E-02 -6.147E-05    1.561E-03 -6.976E-06
  2  0    1  1      2.694E-04  5.151E-07   -1.122E-02 -2.135E-05   -2.147E-03 -4.056E-06
  3  0    1  1      1.615E-06 -1.301E-09   -8.886E-05  7.243E-08   -2.187E-05  1.807E-08
  4  0    1  1      1.952E-07 -4.426E-10   -1.319E-05  3.004E-08   -3.900E-06  8.918E-09
  5  0    1  1      4.559E-08 -1.717E-10   -3.639E-06  1.374E-08   -1.248E-06  4.723E-09

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 5

 iapr =  4, Z = 20, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.1933385082E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1933385082E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0848795177E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3293421824E-04  0.0000000000E+00  1.7988140551E-05
  0.0000000000E+00  1.0228224296E-05  6.5745651463E-06
  1.7988140551E-05  6.5745651463E-06  2.9311286030E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.1352996972E-05  6.5745651463E-06
  6.1352996972E-05  0.0000000000E+00 -1.7988140551E-05
  6.5745651463E-06 -1.7988140551E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  1.7988140551E-05  6.5745651463E-06  7.7986485067E-05
  6.5745651463E-06 -1.7988140551E-05  0.0000000000E+00
  7.7986485067E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.1352996972E-05  6.5745651463E-06
  6.1352996972E-05  0.0000000000E+00 -1.7988140551E-05
  6.5745651463E-06 -1.7988140551E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  1.0228224296E-05  0.0000000000E+00 -1.7988140551E-05
  0.0000000000E+00  1.3293421824E-04 -6.5745651463E-06
 -1.7988140551E-05 -6.5745651463E-06  2.9311286030E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  6.5745651463E-06 -1.7988140551E-05  0.0000000000E+00
 -1.7988140551E-05 -6.5745651463E-06  7.7986485067E-05
  0.0000000000E+00  7.7986485067E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  1.7988140551E-05  6.5745651463E-06  7.7986485067E-05
  6.5745651463E-06 -1.7988140551E-05  0.0000000000E+00
  7.7986485067E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  6.5745651463E-06 -1.7988140551E-05  0.0000000000E+00
 -1.7988140551E-05 -6.5745651463E-06  7.7986485067E-05
  0.0000000000E+00  7.7986485067E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.9311286030E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9311286030E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5730263986E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.5160031049E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5160031049E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8509277106E-01

 Crystal Tensor_qq(ke,je,1,1)
  7.9760530944E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1369345775E-05  3.9447390878E-05
  0.0000000000E+00  3.9447390878E-05  1.7586771618E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  3.6811798183E-04  3.9447390878E-05
  3.6811798183E-04  0.0000000000E+00  0.0000000000E+00
  3.9447390878E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  3.9447390878E-05  4.6791891040E-04
  3.9447390878E-05  0.0000000000E+00  0.0000000000E+00
  4.6791891040E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  3.6811798183E-04  3.9447390878E-05
  3.6811798183E-04  0.0000000000E+00  0.0000000000E+00
  3.9447390878E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  6.1369345775E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.9760530944E-04 -3.9447390878E-05
  0.0000000000E+00 -3.9447390878E-05  1.7586771618E-04

 Crystal Tensor_qq(ke,je,3,2)
  3.9447390878E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.9447390878E-05  4.6791891040E-04
  0.0000000000E+00  4.6791891040E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  3.9447390878E-05  4.6791891040E-04
  3.9447390878E-05  0.0000000000E+00  0.0000000000E+00
  4.6791891040E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  3.9447390878E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -3.9447390878E-05  4.6791891040E-04
  0.0000000000E+00  4.6791891040E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.7586771618E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7586771618E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.4381583916E-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  2.51968E-01  2.51968E-01  2.52068E-01  2.18694E-01  1.85561E-01  2.18694E-01  2.29834E-01
   dip-dip  2.51600E-01  2.51600E-01  2.51600E-01  2.18347E-01  1.85093E-01  2.18347E-01  2.29431E-01
   qua-qua  3.68118E-04  3.68118E-04  4.67919E-04  3.47421E-04  4.67919E-04  3.47421E-04  4.02519E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -9.67390E-04  1.30827E-16 -3.10122E-03  1.05848E-16
   dip-dip  0.00000E+00  1.31979E-16  0.00000E+00  1.08288E-16
   qua-qua -9.67390E-04 -1.15199E-18 -3.10122E-03 -2.43989E-18

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

 Energ =  28.00000 eV

 Vmoy = -20.25991 eV, Vmftabs = -23.36439 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.440E-06  1.246E-09    1.591E-03 -1.371E-06    2.981E-04 -2.608E-07
  1  0    1  1     -5.207E-04  2.211E-06    1.326E-02 -5.646E-05    1.497E-03 -6.408E-06
  2  0    1  1      2.754E-04  5.246E-07   -1.148E-02 -2.174E-05   -2.195E-03 -4.130E-06
  3  0    1  1      1.597E-06 -1.146E-09   -8.789E-05  6.388E-08   -2.163E-05  1.596E-08
  4  0    1  1      1.900E-07 -4.080E-10   -1.284E-05  2.769E-08   -3.796E-06  8.223E-09
  5  0    1  1      4.367E-08 -1.581E-10   -3.485E-06  1.265E-08   -1.195E-06  4.349E-09

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 5

 iapr =  4, Z = 20, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.8466922959E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8466922959E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8790032602E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.3891444835E-04  0.0000000000E+00  2.5902323250E-05
  0.0000000000E+00  5.7863085433E-07  9.2703569636E-06
  2.5902323250E-05  9.2703569636E-06  2.7372515537E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  6.9167908748E-05  9.2703569636E-06
  6.9167908748E-05  0.0000000000E+00 -2.5902323250E-05
  9.2703569636E-06 -2.5902323250E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  2.5902323250E-05  9.2703569636E-06  9.3453931079E-05
  9.2703569636E-06 -2.5902323250E-05  0.0000000000E+00
  9.3453931079E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  6.9167908748E-05  9.2703569636E-06
  6.9167908748E-05  0.0000000000E+00 -2.5902323250E-05
  9.2703569636E-06 -2.5902323250E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
  5.7863085433E-07  0.0000000000E+00 -2.5902323250E-05
  0.0000000000E+00  1.3891444835E-04 -9.2703569636E-06
 -2.5902323250E-05 -9.2703569636E-06  2.7372515537E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  9.2703569636E-06 -2.5902323250E-05  0.0000000000E+00
 -2.5902323250E-05 -9.2703569636E-06  9.3453931079E-05
  0.0000000000E+00  9.3453931079E-05  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  2.5902323250E-05  9.2703569636E-06  9.3453931079E-05
  9.2703569636E-06 -2.5902323250E-05  0.0000000000E+00
  9.3453931079E-05  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  9.2703569636E-06 -2.5902323250E-05  0.0000000000E+00
 -2.5902323250E-05 -9.2703569636E-06  9.3453931079E-05
  0.0000000000E+00  9.3453931079E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.7372515537E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7372515537E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5803872424E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.3080153775E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3080153775E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7274019561E-01

 Crystal Tensor_qq(ke,je,1,1)
  8.3348669011E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4717851260E-06  5.5622141782E-05
  0.0000000000E+00  5.5622141782E-05  1.6423509322E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.1500745249E-04  5.5622141782E-05
  4.1500745249E-04  0.0000000000E+00  0.0000000000E+00
  5.5622141782E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  5.5622141782E-05  5.6072358647E-04
  5.5622141782E-05  0.0000000000E+00  0.0000000000E+00
  5.6072358647E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.1500745249E-04  5.5622141782E-05
  4.1500745249E-04  0.0000000000E+00  0.0000000000E+00
  5.5622141782E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
  3.4717851260E-06  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.3348669011E-04 -5.5622141782E-05
  0.0000000000E+00 -5.5622141782E-05  1.6423509322E-04

 Crystal Tensor_qq(ke,je,3,2)
  5.5622141782E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.5622141782E-05  5.6072358647E-04
  0.0000000000E+00  5.6072358647E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  5.5622141782E-05  5.6072358647E-04
  5.5622141782E-05  0.0000000000E+00  0.0000000000E+00
  5.6072358647E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  5.5622141782E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.5622141782E-05  5.6072358647E-04
  0.0000000000E+00  5.6072358647E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.6423509322E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6423509322E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.4823234544E-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  2.31217E-01  2.31217E-01  2.31362E-01  2.02134E-01  1.73301E-01  2.02134E-01  2.11907E-01
   dip-dip  2.30802E-01  2.30802E-01  2.30802E-01  2.01771E-01  1.72740E-01  2.01771E-01  2.11448E-01
   qua-qua  4.15007E-04  4.15007E-04  5.60724E-04  3.63312E-04  5.60724E-04  3.63312E-04  4.59509E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.39319E-03  1.13581E-16 -4.46623E-03  9.10374E-17
   dip-dip  0.00000E+00  1.15233E-16  0.00000E+00  9.45478E-17
   qua-qua -1.39319E-03 -1.65244E-18 -4.46623E-03 -3.51047E-18

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

 Energ =  29.00000 eV

 Vmoy = -20.25395 eV, Vmftabs = -23.39187 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.427E-06  1.163E-09    1.578E-03 -1.279E-06    2.956E-04 -2.435E-07
  1  0    1  1     -5.007E-04  2.041E-06    1.275E-02 -5.213E-05    1.439E-03 -5.917E-06
  2  0    1  1      2.821E-04  5.341E-07   -1.175E-02 -2.213E-05   -2.248E-03 -4.204E-06
  3  0    1  1      1.581E-06 -1.001E-09   -8.697E-05  5.588E-08   -2.141E-05  1.399E-08
  4  0    1  1      1.850E-07 -3.760E-10   -1.250E-05  2.552E-08   -3.696E-06  7.583E-09
  5  0    1  1      4.186E-08 -1.457E-10   -3.341E-06  1.165E-08   -1.146E-06  4.008E-09

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 5

 iapr =  4, Z = 20, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.4895143877E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4895143877E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7245070325E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.4607793299E-04  0.0000000000E+00  3.3706969364E-05
  0.0000000000E+00 -9.6564856859E-06  1.1946741651E-05
  3.3706969364E-05  1.1946741651E-05  2.5186783426E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  7.7867209338E-05  1.1946741651E-05
  7.7867209338E-05  0.0000000000E+00 -3.3706969364E-05
  1.1946741651E-05 -3.3706969364E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  3.3706969364E-05  1.1946741651E-05  1.0932945163E-04
  1.1946741651E-05 -3.3706969364E-05  0.0000000000E+00
  1.0932945163E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  7.7867209338E-05  1.1946741651E-05
  7.7867209338E-05  0.0000000000E+00 -3.3706969364E-05
  1.1946741651E-05 -3.3706969364E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -9.6564856859E-06  0.0000000000E+00 -3.3706969364E-05
  0.0000000000E+00  1.4607793299E-04 -1.1946741651E-05
 -3.3706969364E-05 -1.1946741651E-05  2.5186783426E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.1946741651E-05 -3.3706969364E-05  0.0000000000E+00
 -3.3706969364E-05 -1.1946741651E-05  1.0932945163E-04
  0.0000000000E+00  1.0932945163E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  3.3706969364E-05  1.1946741651E-05  1.0932945163E-04
  1.1946741651E-05 -3.3706969364E-05  0.0000000000E+00
  1.0932945163E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.1946741651E-05 -3.3706969364E-05  0.0000000000E+00
 -3.3706969364E-05 -1.1946741651E-05  1.0932945163E-04
  0.0000000000E+00  1.0932945163E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.5186783426E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5186783426E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5763144266E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0937086326E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0937086326E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6347042195E-01

 Crystal Tensor_qq(ke,je,1,1)
  8.7646759794E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -5.7938914115E-05  7.1680449903E-05
  0.0000000000E+00  7.1680449903E-05  1.5112070056E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  4.6720325603E-04  7.1680449903E-05
  4.6720325603E-04  0.0000000000E+00  0.0000000000E+00
  7.1680449903E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  7.1680449903E-05  6.5597670976E-04
  7.1680449903E-05  0.0000000000E+00  0.0000000000E+00
  6.5597670976E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  4.6720325603E-04  7.1680449903E-05
  4.6720325603E-04  0.0000000000E+00  0.0000000000E+00
  7.1680449903E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -5.7938914115E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7646759794E-04 -7.1680449903E-05
  0.0000000000E+00 -7.1680449903E-05  1.5112070056E-04

 Crystal Tensor_qq(ke,je,3,2)
  7.1680449903E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.1680449903E-05  6.5597670976E-04
  0.0000000000E+00  6.5597670976E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  7.1680449903E-05  6.5597670976E-04
  7.1680449903E-05  0.0000000000E+00  0.0000000000E+00
  6.5597670976E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  7.1680449903E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -7.1680449903E-05  6.5597670976E-04
  0.0000000000E+00  6.5597670976E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.5112070056E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5112070056E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.4578865597E-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  2.09838E-01  2.09838E-01  2.10027E-01  1.86801E-01  1.64126E-01  1.86801E-01  1.94590E-01
   dip-dip  2.09371E-01  2.09371E-01  2.09371E-01  1.86421E-01  1.63470E-01  1.86421E-01  1.94071E-01
   qua-qua  4.67203E-04  4.67203E-04  6.55977E-04  3.80004E-04  6.55977E-04  3.80004E-04  5.19459E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -1.81321E-03  8.89652E-17 -5.81271E-03  7.01883E-17
   dip-dip  0.00000E+00  9.11095E-17  0.00000E+00  7.47545E-17
   qua-qua -1.81321E-03 -2.14437E-18 -5.81271E-03 -4.56623E-18

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

 Energ =  30.00000 eV

 Vmoy = -20.24135 eV, Vmftabs = -23.41907 eV

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

 iapr =  1, Z = 27, lmax = 5

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1     -1.416E-06  1.087E-09    1.565E-03 -1.195E-06    2.933E-04 -2.276E-07
  1  0    1  1     -4.828E-04  1.894E-06    1.229E-02 -4.837E-05    1.387E-03 -5.492E-06
  2  0    1  1      2.895E-04  5.439E-07   -1.206E-02 -2.253E-05   -2.307E-03 -4.280E-06
  3  0    1  1      1.565E-06 -8.646E-10   -8.608E-05  4.836E-08   -2.119E-05  1.214E-08
  4  0    1  1      1.802E-07 -3.465E-10   -1.218E-05  2.352E-08   -3.600E-06  6.990E-09
  5  0    1  1      4.014E-08 -1.343E-10   -3.203E-06  1.074E-08   -1.099E-06  3.696E-09

 iapr =  2, Z =  8, lmax = 4

 iapr =  3, Z = 27, lmax = 5

 iapr =  4, Z = 20, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.1526796193E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1526796193E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5902160133E-02

 Tensor_qq(ke,je,1,1), prototypical atom
  1.5333594296E-04  0.0000000000E+00  3.9735632065E-05
  0.0000000000E+00 -1.9222569575E-05  1.4084094166E-05
  3.9735632065E-05  1.4084094166E-05  2.2808606914E-05

 Tensor_qq(ke,je,2,1), prototypical atom
  0.0000000000E+00  8.6279256269E-05  1.4084094166E-05
  8.6279256269E-05  0.0000000000E+00 -3.9735632065E-05
  1.4084094166E-05 -3.9735632065E-05  0.0000000000E+00

 Tensor_qq(ke,je,3,1), prototypical atom
  3.9735632065E-05  1.4084094166E-05  1.2296037800E-04
  1.4084094166E-05 -3.9735632065E-05  0.0000000000E+00
  1.2296037800E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,1,2), prototypical atom
  0.0000000000E+00  8.6279256269E-05  1.4084094166E-05
  8.6279256269E-05  0.0000000000E+00 -3.9735632065E-05
  1.4084094166E-05 -3.9735632065E-05  0.0000000000E+00

 Tensor_qq(ke,je,2,2), prototypical atom
 -1.9222569575E-05  0.0000000000E+00 -3.9735632065E-05
  0.0000000000E+00  1.5333594296E-04 -1.4084094166E-05
 -3.9735632065E-05 -1.4084094166E-05  2.2808606914E-05

 Tensor_qq(ke,je,3,2), prototypical atom
  1.4084094166E-05 -3.9735632065E-05  0.0000000000E+00
 -3.9735632065E-05 -1.4084094166E-05  1.2296037800E-04
  0.0000000000E+00  1.2296037800E-04  0.0000000000E+00

 Tensor_qq(ke,je,1,3), prototypical atom
  3.9735632065E-05  1.4084094166E-05  1.2296037800E-04
  1.4084094166E-05 -3.9735632065E-05  0.0000000000E+00
  1.2296037800E-04  0.0000000000E+00  0.0000000000E+00

 Tensor_qq(ke,je,2,3), prototypical atom
  1.4084094166E-05 -3.9735632065E-05  0.0000000000E+00
 -3.9735632065E-05 -1.4084094166E-05  1.2296037800E-04
  0.0000000000E+00  1.2296037800E-04  0.0000000000E+00

 Tensor_qq(ke,je,3,3), prototypical atom
  2.2808606914E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2808606914E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5625868155E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8916077716E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8916077716E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5541296080E-01

 Crystal Tensor_qq(ke,je,1,1)
  9.2001565777E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -1.1533541745E-04  8.4504564997E-05
  0.0000000000E+00  8.4504564997E-05  1.3685164148E-04

 Crystal Tensor_qq(ke,je,2,1)
  0.0000000000E+00  5.1767553761E-04  8.4504564997E-05
  5.1767553761E-04  0.0000000000E+00  0.0000000000E+00
  8.4504564997E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,1)
  0.0000000000E+00  8.4504564997E-05  7.3776226801E-04
  8.4504564997E-05  0.0000000000E+00  0.0000000000E+00
  7.3776226801E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,2)
  0.0000000000E+00  5.1767553761E-04  8.4504564997E-05
  5.1767553761E-04  0.0000000000E+00  0.0000000000E+00
  8.4504564997E-05  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,2)
 -1.1533541745E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2001565777E-04 -8.4504564997E-05
  0.0000000000E+00 -8.4504564997E-05  1.3685164148E-04

 Crystal Tensor_qq(ke,je,3,2)
  8.4504564997E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.4504564997E-05  7.3776226801E-04
  0.0000000000E+00  7.3776226801E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,1,3)
  0.0000000000E+00  8.4504564997E-05  7.3776226801E-04
  8.4504564997E-05  0.0000000000E+00  0.0000000000E+00
  7.3776226801E-04  0.0000000000E+00  0.0000000000E+00

 Crystal Tensor_qq(ke,je,2,3)
  8.4504564997E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00 -8.4504564997E-05  7.3776226801E-04
  0.0000000000E+00  7.3776226801E-04  0.0000000000E+00

 Crystal Tensor_qq(ke,je,3,3)
  1.3685164148E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3685164148E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.3755208932E-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  1.89678E-01  1.89678E-01  1.89899E-01  1.72683E-01  1.56151E-01  1.72683E-01  1.78485E-01
   dip-dip  1.89161E-01  1.89161E-01  1.89161E-01  1.72287E-01  1.55413E-01  1.72287E-01  1.77912E-01
   qua-qua  5.17676E-04  5.17676E-04  7.37762E-04  3.95966E-04  7.37762E-04  3.95966E-04  5.73254E-04

            r(131)sp_0   i(131)sp_0   r(131)ps_0   i(131)ps_0 
  Ampldafs -2.13778E-03  6.44702E-17 -6.85322E-03  4.95864E-17
   dip-dip  0.00000E+00  6.69960E-17  0.00000E+00  5.49696E-17
   qua-qua -2.13778E-03 -2.52580E-18 -6.85322E-03 -5.38322E-18

------------------------------------------------------------------------------------------------------------------------

 Subroutine time (sCPU)
    Lectur =      0.281    Reseau =      0.109    Potent =      0.016
    Ylm    =      0.000    Potex  =      0.125    Sphere =      1.625
    Mat    =     32.422    Tensor =      0.172    Coabs  =      0.656
    Rempli =     31.984    Triang =      0.516
    Total  =     37.594
