   FDMNES program, Revision 2 July 2009           
   Date = 02 07 2009                              
   Time = 14 h 17 mn 56 s                         

 Calculation for the oxygen K-edge in Ba2ZnUO6                                                                                      

 Threshold: Oxygen K1 edge                                                                                                          
 Radius =  3.00
 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 = -10.000   0.200   0.000   0.500  20.000   1.000  40.000
 Dipole component
 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

 ngroup =   40, ntype = 4
   Crystal
   a, b, c =  8.39000  8.39000  8.39000
   alfa, beta, gamma =   90.000   90.000   90.000
    typ    posx      posy      posz      popats
     1   0.25000   0.00000   0.00000    2.0000  5.0000
     1   0.25000   0.50000   0.50000    2.0000  5.0000
     1   0.75000   0.00000   0.50000    2.0000  5.0000
     1   0.75000   0.50000   0.00000    2.0000  5.0000
     1   0.75000   0.00000   0.00000    2.0000  5.0000
     1   0.75000   0.50000   0.50000    2.0000  5.0000
     1   0.25000   0.00000   0.50000    2.0000  5.0000
     1   0.25000   0.50000   0.00000    2.0000  5.0000
     1   0.00000   0.25000   0.00000    2.0000  5.0000
     1   0.00000   0.75000   0.50000    2.0000  5.0000
     1   0.50000   0.25000   0.50000    2.0000  5.0000
     1   0.50000   0.75000   0.00000    2.0000  5.0000
     1   0.00000   0.75000   0.00000    2.0000  5.0000
     1   0.00000   0.25000   0.50000    2.0000  5.0000
     1   0.50000   0.75000   0.50000    2.0000  5.0000
     1   0.50000   0.25000   0.00000    2.0000  5.0000
     1   0.00000   0.00000   0.25000    2.0000  5.0000
     1   0.00000   0.50000   0.75000    2.0000  5.0000
     1   0.50000   0.00000   0.75000    2.0000  5.0000
     1   0.50000   0.50000   0.25000    2.0000  5.0000
     1   0.00000   0.00000   0.75000    2.0000  5.0000
     1   0.00000   0.50000   0.25000    2.0000  5.0000
     1   0.50000   0.00000   0.25000    2.0000  5.0000
     1   0.50000   0.50000   0.75000    2.0000  5.0000
     2   0.00000   0.00000   0.00000    2.0000  1.0000  0.0000
     2   0.00000   0.50000   0.50000    2.0000  1.0000  0.0000
     2   0.50000   0.00000   0.50000    2.0000  1.0000  0.0000
     2   0.50000   0.50000   0.00000    2.0000  1.0000  0.0000
     3   0.25000   0.25000   0.25000    1.0000
     3   0.25000   0.75000   0.75000    1.0000
     3   0.75000   0.25000   0.75000    1.0000
     3   0.75000   0.75000   0.25000    1.0000
     3   0.25000   0.25000   0.75000    1.0000
     3   0.25000   0.75000   0.25000    1.0000
     3   0.75000   0.25000   0.25000    1.0000
     3   0.75000   0.75000   0.75000    1.0000
     4   0.50000   0.50000   0.50000    1.0000
     4   0.50000   0.00000   0.00000    1.0000
     4   0.00000   0.50000   0.00000    1.0000
     4   0.00000   0.00000   0.50000    1.0000

 Hedin and Lundqvist exchange-correlation potential

 Self consistent calculation
   Radius used for the self-consistent part =   3.000 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 =  8   Non relativistic atomic calculation
   n  l     pop
   1  0    2.000
   2  0    2.000
   2  1    4.000

 Atom type  2,  Z = 92   Relativistic atomic calculation
   n  l   j      pop
   5  0  0.5    2.000
   5  1  0.5    2.000
   5  1  1.5    4.000
   5  2  1.5    4.000
   5  2  2.5    6.000
   6  0  0.5    2.000
   6  1  0.5    2.000
   6  1  1.5    4.000
   7  0  0.5    2.000
   6  2  1.5    0.000
   6  2  2.5    0.000
   5  3  2.5    0.429
   5  3  3.5    0.571
   7  1  0.5    1.000
   7  1  1.5    2.000

 Atom type  3,  Z = 56   Relativistic atomic calculation
   n  l   j      pop
   4  0  0.5    2.000
   4  1  0.5    2.000
   4  1  1.5    4.000
   4  2  1.5    4.000
   4  2  2.5    6.000
   5  0  0.5    2.000
   5  1  0.5    2.000
   5  1  1.5    4.000
   6  0  0.5    2.000

 Atom type  4,  Z = 30   Non relativistic atomic calculation
   n  l     pop
   3  0    2.000
   3  1    6.000
   4  0    2.000
   3  2   10.000

 FDM atom radius = 0.533 1.000 1.000 1.000

 ---- Symsite ----------------------------------------------------------------------------------------------------------

   ipr =  1, Z =  8, natomsym =    24

  igr      posx     posy     posz          sym    code
    1    0.25000  0.00000  0.00000            E     1
    2    0.25000  0.50000  0.50000            E     1
    3    0.75000  0.00000  0.50000            E     1
    4    0.75000  0.50000  0.00000            E     1
    5    0.75000  0.00000  0.00000       C2_011    14
    6    0.75000  0.50000  0.50000       C2_011    14
    7    0.25000  0.00000  0.50000       C2_011    14
    8    0.25000  0.50000  0.00000       C2_011    14
    9    0.00000  0.25000  0.00000       C3_111     2
   10    0.00000  0.75000  0.50000       C3_111     2
   11    0.50000  0.25000  0.50000       C3_111     2
   12    0.50000  0.75000  0.00000       C3_111     2
   13    0.00000  0.75000  0.00000     -C3_1-11     5
   14    0.00000  0.25000  0.50000     -C3_1-11     5
   15    0.50000  0.75000  0.50000     -C3_1-11     5
   16    0.50000  0.25000  0.00000     -C3_1-11     5
   17    0.00000  0.00000  0.25000      -C3_111     3
   18    0.00000  0.50000  0.75000      -C3_111     3
   19    0.50000  0.00000  0.75000      -C3_111     3
   20    0.50000  0.50000  0.25000      -C3_111     3
   21    0.00000  0.00000  0.75000      C3_-111     6
   22    0.00000  0.50000  0.25000      C3_-111     6
   23    0.50000  0.00000  0.25000      C3_-111     6
   24    0.50000  0.50000  0.75000      C3_-111     6

   ipr =  2, Z = 92, natomsym =     4

  igr      posx     posy     posz          sym    code
   25    0.00000  0.00000  0.00000            E     1
   26    0.00000  0.50000  0.50000            E     1
   27    0.50000  0.00000  0.50000            E     1
   28    0.50000  0.50000  0.00000            E     1

   ipr =  3, Z = 56, natomsym =     8

  igr      posx     posy     posz          sym    code
   29    0.25000  0.25000  0.25000            E     1
   30    0.25000  0.75000  0.75000            E     1
   31    0.75000  0.25000  0.75000            E     1
   32    0.75000  0.75000  0.25000            E     1
   33    0.25000  0.25000  0.75000       C2_110    10
   34    0.25000  0.75000  0.25000       C2_110    10
   35    0.75000  0.25000  0.25000       C2_110    10
   36    0.75000  0.75000  0.75000       C2_110    10

   ipr =  4, Z = 30, natomsym =     4

  igr      posx     posy     posz          sym    code
   37    0.50000  0.50000  0.50000            E     1
   38    0.50000  0.00000  0.00000            E     1
   39    0.00000  0.50000  0.00000            E     1
   40    0.00000  0.00000  0.50000            E     1

 ---- Esdata -----------------------------------------------------------------------------------------------------------

 E_edge =   543.10 eV, WorkF =   0.00 eV

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

 Excited atom, type 0,  Z =  8   Non relativistic atomic calculation
   n  l     pop
   1  0    1.000
   2  0    2.000
   2  1    5.000

 Atom type                     Z  n  l  popatv
  0  Dirac                     8  2  0  2.00  2  1  5.00
  1  Dirac                     8  2  0  2.00  2  1  4.00
  2  Dirac                    92  7  0  2.00  5  3  1.00  6  2  0.00  7  1  3.00
  3  Dirac                    56  6  0  2.00
  4  Dirac                    30  4  0  2.00

 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 = 2
   l_screening_orbital = 1
   Screening = 1.000

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

 iprabs =  1

  ipr  it    charge   popatm(1)  popatm(2)
   0   0   -1.00000    2.00000    6.00000
   1   1   -1.00000    2.00000    5.00000
   2   2    3.00000    2.00000    1.00000    0.00000    0.00000
   3   3    1.00000    1.00000
   4   4    1.00000    1.00000

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

 Cluster radius = 3.00 A, nb. of atom =  15
 Potential sup calculation: cluster radius = 5.50 A, nb. of atom =  53

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

 Index of the absorbing atom, iaabs =  1

 Point group : 4mm      (C4v  )

 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 1
                          -C4x, -C4y, -C4z :  0 0 1
                             C2x, C2y, C2z :  0 0 1
                                         i :  0
                             S4x, S4y, S4z :  0 0 0
                          -S4x, -S4y, -S4z :  0 0 0
    iC3_111, -iC3_111, iC3_1-11, -iC3_1-11 :  0 0 0 0
  iC3_-111, -iC3_-111, iC3_11-1, -iC3_11-1 :  0 0 0 0
                                mx, my, mz :  1 1 0
                       d_011, d_101, d_110 :  0 0 1
                    d_01-1, d_10-1, d_1-10 :  0 0 1
                      C3z, -C3z, C6z, -C6z :  0 0 0 0
                      S3z, -S3z, S6z, -S6z :  0 0 0 0
              d_030, C2_030, d_060, C2_060 :  0 0 0 0
              d_120, C2_120, d_150, C2_150 :  0 0 0 0

 Point group used : mm       (C2v  )

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

 Character table :
       1 24 41 40
       1  1  1  1                                                                                                                                    
       1 -1  1 -1                                                                                                                                    
       1  1 -1 -1                                                                                                                                    
       1 -1 -1  1                                                                                                                                    

 Symmetry code:
    1        E
   24      C2z
   41       my
   40       mx

 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 :
    15.85480  0.00000  0.00000
     0.00000 15.85480  0.00000
     0.00000  0.00000 15.85480

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

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

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

 Transformation Crystal Bases - Bases R2 :
     0.00000-15.85480  0.00000
     0.00000  0.00000-15.85480
    15.85480  0.00000  0.00000

 Inverse matrix :
     0.00000  0.00000  0.06307
    -0.06307  0.00000  0.00000
     0.00000 -0.06307  0.00000

 Atom positions in order, in the internal R2 bases
   Z      posx       posy       posz          dista    ia   igr ity ipr  chargat
   8   0.000000   0.000000   0.000000   !    0.000000   1     1   1   1 -1.00000
  92   0.000000   0.000000  -2.097500   !    2.097500   2    25   2   2  3.00000
  30   0.000000   0.000000   2.097500   !    2.097500   3    38   4   4  1.00000
  56   2.097500  -2.097500   0.000000   !    2.966313   4    34   3   3  1.00000
   8   0.000000   2.097500   2.097500   !    2.966313   5    19   1   1 -1.00000
   8   0.000000   2.097500  -2.097500   !    2.966313   6    21   1   1 -1.00000
  56  -2.097500   2.097500   0.000000   !    2.966313   7    33   3   3  1.00000
  56   2.097500   2.097500   0.000000   !    2.966313   8    30   3   3  1.00000
   8  -2.097500   0.000000  -2.097500   !    2.966313   9     9   1   1 -1.00000
   8  -2.097500   0.000000   2.097500   !    2.966313  10    16   1   1 -1.00000
   8   0.000000  -2.097500  -2.097500   !    2.966313  11    17   1   1 -1.00000
   8   0.000000  -2.097500   2.097500   !    2.966313  12    23   1   1 -1.00000
   8   2.097500   0.000000   2.097500   !    2.966313  13    12   1   1 -1.00000
  56  -2.097500  -2.097500   0.000000   !    2.966313  14    29   3   3  1.00000
   8   2.097500   0.000000  -2.097500   !    2.966313  15    13   1   1 -1.00000
   8   0.000000   4.195000   0.000000   !    4.195000  16     7   1   1 -1.00000
   8   4.195000   0.000000   0.000000   !    4.195000  17     8   1   1 -1.00000
   8   0.000000   0.000000   4.195000   !    4.195000  18     5   1   1 -1.00000
   8   0.000000  -4.195000   0.000000   !    4.195000  19     7   1   1 -1.00000
   8  -4.195000   0.000000   0.000000   !    4.195000  20     8   1   1 -1.00000
   8   0.000000   0.000000  -4.195000   !    4.195000  21     5   1   1 -1.00000
  30   0.000000   4.195000  -2.097500   !    4.690153  22    40   4   4  1.00000
  92   4.195000   0.000000   2.097500   !    4.690153  23    28   2   2  3.00000
  92   0.000000  -4.195000   2.097500   !    4.690153  24    27   2   2  3.00000
  92  -4.195000   0.000000   2.097500   !    4.690153  25    28   2   2  3.00000
  92   0.000000   4.195000   2.097500   !    4.690153  26    27   2   2  3.00000
  30   4.195000   0.000000  -2.097500   !    4.690153  27    39   4   4  1.00000
  30  -4.195000   0.000000  -2.097500   !    4.690153  28    39   4   4  1.00000
  30   0.000000  -4.195000  -2.097500   !    4.690153  29    40   4   4  1.00000
  56  -2.097500   2.097500  -4.195000   !    5.137805  30    31   3   3  1.00000
  56  -2.097500   2.097500   4.195000   !    5.137805  31    31   3   3  1.00000
   8   2.097500  -4.195000  -2.097500   !    5.137805  32    10   1   1 -1.00000
  56   2.097500   2.097500  -4.195000   !    5.137805  33    36   3   3  1.00000
  56  -2.097500  -2.097500  -4.195000   !    5.137805  34    35   3   3  1.00000
   8   2.097500  -4.195000   2.097500   !    5.137805  35    15   1   1 -1.00000
   8   4.195000  -2.097500   2.097500   !    5.137805  36    20   1   1 -1.00000
   8   4.195000  -2.097500  -2.097500   !    5.137805  37    22   1   1 -1.00000
   8   2.097500   4.195000  -2.097500   !    5.137805  38    10   1   1 -1.00000
   8  -2.097500  -4.195000   2.097500   !    5.137805  39    11   1   1 -1.00000
   8  -2.097500  -4.195000  -2.097500   !    5.137805  40    14   1   1 -1.00000
  56   2.097500  -2.097500   4.195000   !    5.137805  41    32   3   3  1.00000
   8   2.097500   4.195000   2.097500   !    5.137805  42    15   1   1 -1.00000
   8  -4.195000  -2.097500   2.097500   !    5.137805  43    20   1   1 -1.00000
   8  -4.195000  -2.097500  -2.097500   !    5.137805  44    22   1   1 -1.00000
   8   4.195000   2.097500  -2.097500   !    5.137805  45    18   1   1 -1.00000
   8   4.195000   2.097500   2.097500   !    5.137805  46    24   1   1 -1.00000
   8  -2.097500   4.195000   2.097500   !    5.137805  47    11   1   1 -1.00000
   8  -2.097500   4.195000  -2.097500   !    5.137805  48    14   1   1 -1.00000
   8  -4.195000   2.097500  -2.097500   !    5.137805  49    18   1   1 -1.00000
  56  -2.097500  -2.097500   4.195000   !    5.137805  50    35   3   3  1.00000
  56   2.097500  -2.097500  -4.195000   !    5.137805  51    32   3   3  1.00000
  56   2.097500   2.097500   4.195000   !    5.137805  52    36   3   3  1.00000
   8  -4.195000   2.097500   2.097500   !    5.137805  53    24   1   1 -1.00000

 ipr   iapot
   0     1
   1     1
   2     2
   3     4
   4     3

 ia ib Za Zb   Angle(a,O,b)
  2  3 92 30      180.000

 Cluster charge =    1.00000  Vsphere =    2.80269 eV


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

  Internal basis, z along c :

  Dipole-dipole matrix shape :

     1  0  0
     0  2  0
     0  0  2

  Absorbing atom basis :

  Dipole-dipole matrix shape :

     1  0  0
     0  1  0
     0  0  2

 ldip = ( 0 1 1)

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

  Rsort =    3.750 A
  nx = 21
  natome =   8, igrpt =   6, Cluster_comp = F, Cluster_mag = F

 ia   Z  it  igr ipr iap     posx      posy      posz   igrpt PtGrName  Atom_comp  Atom_mag
  1   8   1    1   1   1   0.00000   0.00000   0.00000    6      mm        F         F
  2  92   2   25   2   2   0.00000   0.00000  -2.09750    6      mm        F         F
  3  30   4   38   4   3   0.00000   0.00000   2.09750    6      mm        F         F
  4   8   1   19   1   5   0.00000   2.09750   2.09750    3      m         F         F
  5   8   1   21   1   6   0.00000   2.09750  -2.09750    3      m         F         F
  6  56   3   30   3   8   2.09750   2.09750   0.00000    1      1         F         F
  7   8   1   12   1  13   2.09750   0.00000   2.09750    3      m         F         F
  8   8   1   13   1  15   2.09750   0.00000  -2.09750    3      m         F         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     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     1.000  0.000  0.000

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

 Atom  ia_eq  is_eq
   1      1  1
   2      2  1
   3      3  1
   4      5  1  12 24
   5      6  1  11 24
   6      8  1   4 41   7 40  14 24
   7     13  1  10 24
   8     15  1   9 24

 Useful representation number  1 :

   Number of the corresponding representation : 1

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

     is  Symmetry    Character
      1        E   1.000  0.000
     24      C2z   1.000  0.000
     40       mx   1.000  0.000
     41       my   1.000  0.000

 Useful representation number  2 :

   Number of the corresponding representation : 4

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

     is  Symmetry    Character
      1        E   1.000  0.000
     24      C2z  -1.000  0.000
     40       mx   1.000  0.000
     41       my  -1.000  0.000

 Useful representation number  3 :

   Number of the corresponding representation : 2

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

     is  Symmetry    Character
      1        E   1.000  0.000
     24      C2z  -1.000  0.000
     40       mx  -1.000  0.000
     41       my   1.000  0.000

 Useful representation number  4 :

   Number of the corresponding representation : 3

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

     is  Symmetry    Character
      1        E   1.000  0.000
     24      C2z   1.000  0.000
     40       mx  -1.000  0.000
     41       my  -1.000  0.000

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

 npr =   644, npoint =   744, npso =   744
 natome =   8

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

 Vrop =    -19.964 eV

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

 ipr    Rn     Rnorm     Dab     Rdem     Rayop     Rv0     Rmtsd     Rmtg    nrmtg
  1  1.00041  1.33046  2.09750  1.04875  0.63958  1.60065  0.63958  0.63958    449
  2  1.09709  1.45904  2.09750  1.04875  1.66271  2.09750  1.66271  1.66271    501
  3  1.76024  1.94179  2.96631  1.48316  1.20654  2.23389  1.20654  1.20654    483
  4  1.02506  1.27168  2.09750  1.04875  0.97909  1.40605  0.97909  0.97909    472

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

   Z   charge   ch_ion    Vmft   Ionic radius
   8    6.568   -1.822  -19.964    1.400
  92   99.324   11.623  -19.964    0.520
  56   56.603   -1.111  -19.964    1.350
  30   30.062    1.532  -19.964    0.740

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

  ia     Z    n  l    E_core   n  l     E_val   zero at infinity
  1      8    1  0   -485.695  2  0     -8.867
  2     92    6  1    -16.630  7  0     -5.733
  3     56    5  0    -23.247  5  1    -11.365
  4     30    3  1    -81.830  4  0     -8.835

 Starting energy =  -33.247 eV,    zero at   0.00 eV

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

 Number of valence electrons =  238.294
 Number of core electrons    =  803.447
 Total                       = 1041.741
 Charge from outer sphere    =    3.415
 Sum of atomic number        = 1128
 Initial charge              =    0.000
 Cluster charge              =   86.259

 ia   Z     ch_val    ch_core   ch_total     ch_out   Atom charge
  1   8      4.066      2.000      6.066      0.001      1.934
  2  92     12.398     79.330     91.728      0.747      0.272
  3  56      6.497     45.778     52.275      0.029      3.725
  4  30      9.787     17.976     27.763      0.044      2.237

chg_level for neutral absorber= 2.245

chg_level for excited absorber= 3.291

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

     VmoyF =   -11.718 eV,      Vmoyc =    -2.665 eV

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

 Sum of atomic numbers = 1128, Reference charge =  1041.741

 Cycle  1,   Fermi energy =  -1.829 eV,  Cluster Energy_KS =  -3260.391 eV
         Popul val absorb =   0.394

  At the Fermi level :

             ia   Z   Energy_KS      Charge  pop_orb_val(l)   l    Radius
              1   8     -12.830       4.752       0.386       1   0.63958
              2  92    -398.109     -15.822      14.289       3   1.66271
              3  56    -110.232       3.574       1.825       0   1.20654
              4  30    -119.545       1.727       9.725       2   0.97909

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

 Cluster energy: -3888811.310 eV

  ia    Energ_atom      Energ_KS   delta_En_coeur   Fonc_exc     Fonc_coul      Vxc_int
   1     -1188.134       -12.830         0.000      -145.243      1221.882      -191.821
   2   -587220.391      -398.109         0.000    -12534.344    590928.759    -16640.820
   3   -168184.546      -110.232         0.000     -5128.079    169748.692     -6802.456
   4    -41484.539      -119.545         0.000     -1856.555     41966.494     -2458.054

 Sum  -3888811.310     -3260.391         0.000   -102074.064   3918895.712   -135418.856

 E_cut =   -1.82872 eV

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

 Index of the absorbing atom, iaabs =  1

 Point group : 4mm      (C4v  )

 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 1
                          -C4x, -C4y, -C4z :  0 0 1
                             C2x, C2y, C2z :  0 0 1
                                         i :  0
                             S4x, S4y, S4z :  0 0 0
                          -S4x, -S4y, -S4z :  0 0 0
    iC3_111, -iC3_111, iC3_1-11, -iC3_1-11 :  0 0 0 0
  iC3_-111, -iC3_-111, iC3_11-1, -iC3_11-1 :  0 0 0 0
                                mx, my, mz :  1 1 0
                       d_011, d_101, d_110 :  0 0 1
                    d_01-1, d_10-1, d_1-10 :  0 0 1
                      C3z, -C3z, C6z, -C6z :  0 0 0 0
                      S3z, -S3z, S6z, -S6z :  0 0 0 0
              d_030, C2_030, d_060, C2_060 :  0 0 0 0
              d_120, C2_120, d_150, C2_150 :  0 0 0 0

 Point group used : mm       (C2v  )

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

 Character table :
       1 24 41 40
       1  1  1  1                                                                                                                                    
       1 -1  1 -1                                                                                                                                    
       1  1 -1 -1                                                                                                                                    
       1 -1 -1  1                                                                                                                                    

 Symmetry code:
    1        E
   24      C2z
   41       my
   40       mx

 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 :
    15.85480  0.00000  0.00000
     0.00000 15.85480  0.00000
     0.00000  0.00000 15.85480

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

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

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

 Transformation Crystal Bases - Bases R2 :
     0.00000-15.85480  0.00000
     0.00000  0.00000-15.85480
    15.85480  0.00000  0.00000

 Inverse matrix :
     0.00000  0.00000  0.06307
    -0.06307  0.00000  0.00000
     0.00000 -0.06307  0.00000

 Atom positions in order, in the internal R2 bases
   Z      posx       posy       posz          dista    ia   igr ity ipr  chargat
   8   0.000000   0.000000   0.000000   !    0.000000   1     1   0   0 -1.00000
  92   0.000000   0.000000  -2.097500   !    2.097500   2    25   2   2  3.00000
  30   0.000000   0.000000   2.097500   !    2.097500   3    38   4   4  1.00000
  56   2.097500  -2.097500   0.000000   !    2.966313   4    34   3   3  1.00000
   8   0.000000   2.097500   2.097500   !    2.966313   5    19   1   1 -1.00000
   8   0.000000   2.097500  -2.097500   !    2.966313   6    21   1   1 -1.00000
  56  -2.097500   2.097500   0.000000   !    2.966313   7    33   3   3  1.00000
  56   2.097500   2.097500   0.000000   !    2.966313   8    30   3   3  1.00000
   8  -2.097500   0.000000  -2.097500   !    2.966313   9     9   1   1 -1.00000
   8  -2.097500   0.000000   2.097500   !    2.966313  10    16   1   1 -1.00000
   8   0.000000  -2.097500  -2.097500   !    2.966313  11    17   1   1 -1.00000
   8   0.000000  -2.097500   2.097500   !    2.966313  12    23   1   1 -1.00000
   8   2.097500   0.000000   2.097500   !    2.966313  13    12   1   1 -1.00000
  56  -2.097500  -2.097500   0.000000   !    2.966313  14    29   3   3  1.00000
   8   2.097500   0.000000  -2.097500   !    2.966313  15    13   1   1 -1.00000
   8   0.000000   4.195000   0.000000   !    4.195000  16     7   1   1 -1.00000
   8   4.195000   0.000000   0.000000   !    4.195000  17     8   1   1 -1.00000
   8   0.000000   0.000000   4.195000   !    4.195000  18     5   1   1 -1.00000
   8   0.000000  -4.195000   0.000000   !    4.195000  19     7   1   1 -1.00000
   8  -4.195000   0.000000   0.000000   !    4.195000  20     8   1   1 -1.00000
   8   0.000000   0.000000  -4.195000   !    4.195000  21     5   1   1 -1.00000
  30   0.000000   4.195000  -2.097500   !    4.690153  22    40   4   4  1.00000
  92   4.195000   0.000000   2.097500   !    4.690153  23    28   2   2  3.00000
  92   0.000000  -4.195000   2.097500   !    4.690153  24    27   2   2  3.00000
  92  -4.195000   0.000000   2.097500   !    4.690153  25    28   2   2  3.00000
  92   0.000000   4.195000   2.097500   !    4.690153  26    27   2   2  3.00000
  30   4.195000   0.000000  -2.097500   !    4.690153  27    39   4   4  1.00000
  30  -4.195000   0.000000  -2.097500   !    4.690153  28    39   4   4  1.00000
  30   0.000000  -4.195000  -2.097500   !    4.690153  29    40   4   4  1.00000
  56  -2.097500   2.097500  -4.195000   !    5.137805  30    31   3   3  1.00000
  56  -2.097500   2.097500   4.195000   !    5.137805  31    31   3   3  1.00000
   8   2.097500  -4.195000  -2.097500   !    5.137805  32    10   1   1 -1.00000
  56   2.097500   2.097500  -4.195000   !    5.137805  33    36   3   3  1.00000
  56  -2.097500  -2.097500  -4.195000   !    5.137805  34    35   3   3  1.00000
   8   2.097500  -4.195000   2.097500   !    5.137805  35    15   1   1 -1.00000
   8   4.195000  -2.097500   2.097500   !    5.137805  36    20   1   1 -1.00000
   8   4.195000  -2.097500  -2.097500   !    5.137805  37    22   1   1 -1.00000
   8   2.097500   4.195000  -2.097500   !    5.137805  38    10   1   1 -1.00000
   8  -2.097500  -4.195000   2.097500   !    5.137805  39    11   1   1 -1.00000
   8  -2.097500  -4.195000  -2.097500   !    5.137805  40    14   1   1 -1.00000
  56   2.097500  -2.097500   4.195000   !    5.137805  41    32   3   3  1.00000
   8   2.097500   4.195000   2.097500   !    5.137805  42    15   1   1 -1.00000
   8  -4.195000  -2.097500   2.097500   !    5.137805  43    20   1   1 -1.00000
   8  -4.195000  -2.097500  -2.097500   !    5.137805  44    22   1   1 -1.00000
   8   4.195000   2.097500  -2.097500   !    5.137805  45    18   1   1 -1.00000
   8   4.195000   2.097500   2.097500   !    5.137805  46    24   1   1 -1.00000
   8  -2.097500   4.195000   2.097500   !    5.137805  47    11   1   1 -1.00000
   8  -2.097500   4.195000  -2.097500   !    5.137805  48    14   1   1 -1.00000
   8  -4.195000   2.097500  -2.097500   !    5.137805  49    18   1   1 -1.00000
  56  -2.097500  -2.097500   4.195000   !    5.137805  50    35   3   3  1.00000
  56   2.097500  -2.097500  -4.195000   !    5.137805  51    32   3   3  1.00000
  56   2.097500   2.097500   4.195000   !    5.137805  52    36   3   3  1.00000
   8  -4.195000   2.097500   2.097500   !    5.137805  53    24   1   1 -1.00000

 ipr   iapot
   0     1
   1     1
   2     2
   3     4
   4     3

 ia ib Za Zb   Angle(a,O,b)
  2  3 92 30      180.000

 Cluster charge =    1.00000  Vsphere =    2.80269 eV


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

  Internal basis, z along c :

  Dipole-dipole matrix shape :

     1  0  0
     0  2  0
     0  0  2

  Absorbing atom basis :

  Dipole-dipole matrix shape :

     1  0  0
     0  1  0
     0  0  2

 ldip = ( 0 1 1)

 Absorption before the edge :
 Site  Z      fpp (per atom)
   1   8  2.24488E-01
   2  92  1.65819E+01
   3  56  6.91897E+00
   4  30  4.73061E+00

 Total :  3.05397E+02 nbr. of electron

 ---- 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

  0.00000  0.00000   0.00000   0.00000  0.00000   0.00000   xanes rectil  0.66667  0.00000
 -1.00000  0.00000   0.00000  -1.00000  0.00000   0.00000
  0.00000  0.00000   0.00000   0.00000  0.00000   0.00000

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

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

  Rsort =    3.750 A
  nx = 21
  natome =   8, igrpt =   6, Cluster_comp = F, Cluster_mag = F

 ia   Z  it  igr ipr iap     posx      posy      posz   igrpt PtGrName  Atom_comp  Atom_mag
  1   8   0    1   0   1   0.00000   0.00000   0.00000    6      mm        F         F
  2  92   2   25   2   2   0.00000   0.00000  -2.09750    6      mm        F         F
  3  30   4   38   4   3   0.00000   0.00000   2.09750    6      mm        F         F
  4   8   1   19   1   5   0.00000   2.09750   2.09750    3      m         F         F
  5   8   1   21   1   6   0.00000   2.09750  -2.09750    3      m         F         F
  6  56   3   30   3   8   2.09750   2.09750   0.00000    1      1         F         F
  7   8   1   12   1  13   2.09750   0.00000   2.09750    3      m         F         F
  8   8   1   13   1  15   2.09750   0.00000  -2.09750    3      m         F         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     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     1.000  0.000  0.000

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

 Atom  ia_eq  is_eq
   1      1  1
   2      2  1
   3      3  1
   4      5  1  12 24
   5      6  1  11 24
   6      8  1   4 41   7 40  14 24
   7     13  1  10 24
   8     15  1   9 24

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

 Useful representation number  1 :

   Number of the corresponding representation : 1

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

     is  Symmetry    Character
      1        E   1.000  0.000
     24      C2z   1.000  0.000
     40       mx   1.000  0.000
     41       my   1.000  0.000

 Useful representation number  2 :

   Number of the corresponding representation : 4

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

     is  Symmetry    Character
      1        E   1.000  0.000
     24      C2z  -1.000  0.000
     40       mx   1.000  0.000
     41       my  -1.000  0.000

 Useful representation number  3 :

   Number of the corresponding representation : 2

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

     is  Symmetry    Character
      1        E   1.000  0.000
     24      C2z  -1.000  0.000
     40       mx  -1.000  0.000
     41       my   1.000  0.000

 Useful representation number  4 :

   Number of the corresponding representation : 3

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

     is  Symmetry    Character
      1        E   1.000  0.000
     24      C2z   1.000  0.000
     40       mx  -1.000  0.000
     41       my  -1.000  0.000

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

 npr =   644, npoint =   744, npso =   744
 natome =   8

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

 Vrop =    -19.942 eV

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

 ipr    Rn     Rnorm     Dab     Rdem     Rayop     Rv0     Rmtsd     Rmtg    nrmtg
  0  0.97496  1.26722  2.09750  1.04875  0.61284  2.09750  0.61284  0.61284    447
  1  1.07244  1.33046  2.09750  1.04875  0.63981  2.09750  0.63981  0.63981    449
  2  1.12254  1.45904  2.09750  1.04875  1.66905  2.09750  1.66905  1.66905    501
  3  1.79493  1.94179  2.96631  1.48316  1.20694  2.96631  1.20694  1.20694    483
  4  1.05059  1.27168  2.09750  1.04875  0.97957  2.09750  0.97957  0.97957    472

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

   Z   charge   ch_ion    Vmft   Ionic radius
   8*   6.574   -1.935  -19.942    1.400
   8    6.567   -1.822  -19.942    1.400
  92   99.401   11.623  -19.942    0.520
  56   56.576   -1.111  -19.942    1.350
  30   30.048    1.532  -19.942    0.740

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

     VmoyF =   -11.567 eV,      Vmoyc =    -2.485 eV

     Epsii =   485.417 eV,  psi*psi =  0.982

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

 Energ = -10.00000 eV

 Vmoy = -11.43146 eV, Vmftabs = -21.29423 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     3.173E-05  -4.366E-02  -2.268E-03
  1  0    1  1     5.263E-03  -5.721E-01  -2.058E-02
  2  0    1  1     4.062E-02  -6.420E+00  -3.107E-01

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.9596851945E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8605961418E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8605961418E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0254435383E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0254435383E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0254435383E-01

 Convertion factor =   7.62922 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
   -10.000  2.02544E-01  2.02544E-01  2.02544E-01

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

 Energ =  -9.80000 eV

 Vmoy = -11.43464 eV, Vmftabs = -21.28761 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     3.080E-05  -4.235E-02  -2.201E-03
  1  0    1  1     4.774E-03  -5.188E-01  -1.866E-02
  2  0    1  1     3.447E-02  -5.448E+00  -2.637E-01

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3867371661E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9242083077E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9242083077E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.5372630621E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5372630621E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5372630621E-01

 Convertion factor =   7.63209 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -9.800  2.53726E-01  2.53726E-01  2.53726E-01

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

 Energ =  -9.60000 eV

 Vmoy = -11.43788 eV, Vmftabs = -21.28099 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     3.001E-05  -4.124E-02  -2.143E-03
  1  0    1  1     4.381E-03  -4.759E-01  -1.712E-02
  2  0    1  1     2.983E-02  -4.713E+00  -2.282E-01

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.9124516967E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.4143936046E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.4143936046E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.1962643341E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1962643341E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1962643341E-01

 Convertion factor =   7.63495 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -9.600  3.19626E-01  3.19626E-01  3.19626E-01

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

 Energ =  -9.40000 eV

 Vmoy = -11.44114 eV, Vmftabs = -21.27443 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.933E-05  -4.029E-02  -2.094E-03
  1  0    1  1     4.057E-03  -4.406E-01  -1.585E-02
  2  0    1  1     2.621E-02  -4.141E+00  -2.005E-01

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.5603635146E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5103994596E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.5103994596E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.0499547252E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0499547252E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0499547252E-01

 Convertion factor =   7.63781 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -9.400  4.04995E-01  4.04995E-01  4.04995E-01

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

 Energ =  -9.20000 eV

 Vmoy = -11.44460 eV, Vmftabs = -21.26794 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.874E-05  -3.945E-02  -2.051E-03
  1  0    1  1     3.785E-03  -4.110E-01  -1.479E-02
  2  0    1  1     2.332E-02  -3.684E+00  -1.784E-01

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.3606802622E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0527598086E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0527598086E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.1729599035E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1729599035E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.1729599035E-01

 Convertion factor =   7.64067 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -9.200  5.17296E-01  5.17296E-01  5.17296E-01

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

 Energ =  -9.00000 eV

 Vmoy = -11.44882 eV, Vmftabs = -21.26150 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.821E-05  -3.871E-02  -2.013E-03
  1  0    1  1     3.553E-03  -3.856E-01  -1.388E-02
  2  0    1  1     2.096E-02  -3.309E+00  -1.603E-01

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.3530892080E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5017071922E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5017071922E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.6852028739E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6852028739E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.6852028739E-01

 Convertion factor =   7.64353 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -9.000  6.68520E-01  6.68520E-01  6.68520E-01

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

 Energ =  -8.80000 eV

 Vmoy = -11.45300 eV, Vmftabs = -21.25513 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.775E-05  -3.805E-02  -1.979E-03
  1  0    1  1     3.352E-03  -3.637E-01  -1.309E-02
  2  0    1  1     1.899E-02  -2.999E+00  -1.453E-01

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.5835509703E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1928730768E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1928730768E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.7754376991E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7754376991E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.7754376991E-01

 Convertion factor =   7.64640 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -8.800  8.77544E-01  8.77544E-01  8.77544E-01

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

 Energ =  -8.60000 eV

 Vmoy = -11.45731 eV, Vmftabs = -21.24881 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.733E-05  -3.746E-02  -1.948E-03
  1  0    1  1     3.177E-03  -3.446E-01  -1.240E-02
  2  0    1  1     1.734E-02  -2.738E+00  -1.327E-01

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.1135804602E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3029263057E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3029263057E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.1775546457E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1775546457E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1775546457E+00

 Convertion factor =   7.64926 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -8.600  1.17755E+00  1.17755E+00  1.17755E+00

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

 Energ =  -8.40000 eV

 Vmoy = -11.46256 eV, Vmftabs = -21.24254 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.695E-05  -3.692E-02  -1.921E-03
  1  0    1  1     3.021E-03  -3.277E-01  -1.179E-02
  2  0    1  1     1.593E-02  -2.515E+00  -1.220E-01

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.0024872120E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1755653844E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.1755653844E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.6300802311E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6300802311E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6300802311E+00

 Convertion factor =   7.65212 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -8.400  1.63008E+00  1.63008E+00  1.63008E+00

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

 Energ =  -8.20000 eV

 Vmoy = -11.46753 eV, Vmftabs = -21.23633 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.661E-05  -3.643E-02  -1.895E-03
  1  0    1  1     2.884E-03  -3.126E-01  -1.125E-02
  2  0    1  1     1.472E-02  -2.324E+00  -1.127E-01

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.2409891506E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4792466854E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.4792466854E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.3494707901E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3494707901E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3494707901E+00

 Convertion factor =   7.65498 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -8.200  2.34947E+00  2.34947E+00  2.34947E+00

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

 Energ =  -8.00000 eV

 Vmoy = -11.47252 eV, Vmftabs = -21.23017 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.630E-05  -3.598E-02  -1.872E-03
  1  0    1  1     2.760E-03  -2.992E-01  -1.077E-02
  2  0    1  1     1.367E-02  -2.157E+00  -1.046E-01

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5389853714E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4518790242E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4518790242E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.5541947358E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5541947358E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5541947358E+00

 Convertion factor =   7.65784 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -8.000  3.55419E+00  3.55419E+00  3.55419E+00

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

 Energ =  -7.80000 eV

 Vmoy = -11.47753 eV, Vmftabs = -21.22407 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.601E-05  -3.557E-02  -1.851E-03
  1  0    1  1     2.649E-03  -2.871E-01  -1.033E-02
  2  0    1  1     1.275E-02  -2.012E+00  -9.760E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.9110987160E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5313706211E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5313706211E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.5790719665E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.5790719665E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.5790719665E+00

 Convertion factor =   7.66071 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -7.800  5.57907E+00  5.57907E+00  5.57907E+00

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

 Energ =  -7.60000 eV

 Vmoy = -11.48334 eV, Vmftabs = -21.21801 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.575E-05  -3.519E-02  -1.832E-03
  1  0    1  1     2.548E-03  -2.760E-01  -9.936E-03
  2  0    1  1     1.193E-02  -1.883E+00  -9.136E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3751011860E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0909032141E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0909032141E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.4455260913E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4455260913E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.4455260913E+00

 Convertion factor =   7.66357 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -7.600  8.44553E+00  8.44553E+00  8.44553E+00

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

 Energ =  -7.40000 eV

 Vmoy = -11.48925 eV, Vmftabs = -21.21201 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.551E-05  -3.484E-02  -1.814E-03
  1  0    1  1     2.456E-03  -2.660E-01  -9.574E-03
  2  0    1  1     1.121E-02  -1.768E+00  -8.582E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.9489465677E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1657344243E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.1657344243E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0624332333E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0624332333E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0624332333E+01

 Convertion factor =   7.66643 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -7.400  1.06243E+01  1.06243E+01  1.06243E+01

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

 Energ =  -7.20000 eV

 Vmoy = -11.49595 eV, Vmftabs = -21.20605 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.528E-05  -3.451E-02  -1.797E-03
  1  0    1  1     2.372E-03  -2.568E-01  -9.243E-03
  2  0    1  1     1.056E-02  -1.665E+00  -8.086E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.6514376202E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8202392567E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.8202392567E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0633532907E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0633532907E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0633532907E+01

 Convertion factor =   7.66929 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -7.200  1.06335E+01  1.06335E+01  1.06335E+01

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

 Energ =  -7.00000 eV

 Vmoy = -11.50291 eV, Vmftabs = -21.20013 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.507E-05  -3.421E-02  -1.782E-03
  1  0    1  1     2.294E-03  -2.483E-01  -8.937E-03
  2  0    1  1     9.976E-03  -1.573E+00  -7.639E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.4957464235E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8616742124E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8616742124E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.7752758787E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.7752758787E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.7752758787E+00

 Convertion factor =   7.67216 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -7.000  9.77528E+00  9.77528E+00  9.77528E+00

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

 Energ =  -6.80000 eV

 Vmoy = -11.50995 eV, Vmftabs = -21.19427 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.488E-05  -3.393E-02  -1.767E-03
  1  0    1  1     2.222E-03  -2.404E-01  -8.656E-03
  2  0    1  1     9.450E-03  -1.490E+00  -7.237E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.4852406998E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0499211101E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0499211101E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.2680663360E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2680663360E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.2680663360E+00

 Convertion factor =   7.67502 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -6.800  9.26807E+00  9.26807E+00  9.26807E+00

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

 Energ =  -6.60000 eV

 Vmoy = -11.51717 eV, Vmftabs = -21.18845 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.470E-05  -3.366E-02  -1.754E-03
  1  0    1  1     2.156E-03  -2.332E-01  -8.395E-03
  2  0    1  1     8.973E-03  -1.414E+00  -6.872E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.6068137457E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5001712248E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5001712248E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.2857249562E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2857249562E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.2857249562E+00

 Convertion factor =   7.67788 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -6.600  9.28572E+00  9.28572E+00  9.28572E+00

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

 Energ =  -6.40000 eV

 Vmoy = -11.52447 eV, Vmftabs = -21.18267 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.453E-05  -3.342E-02  -1.741E-03
  1  0    1  1     2.094E-03  -2.265E-01  -8.153E-03
  2  0    1  1     8.538E-03  -1.346E+00  -6.540E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.8251991410E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1464509354E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1464509354E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.6944808094E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.6944808094E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.6944808094E+00

 Convertion factor =   7.68074 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -6.400  9.69448E+00  9.69448E+00  9.69448E+00

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

 Energ =  -6.20000 eV

 Vmoy = -11.53153 eV, Vmftabs = -21.17693 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.437E-05  -3.318E-02  -1.729E-03
  1  0    1  1     2.037E-03  -2.202E-01  -7.928E-03
  2  0    1  1     8.142E-03  -1.283E+00  -6.237E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.0810503877E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9228385332E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9228385332E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0341381963E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0341381963E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0341381963E+01

 Convertion factor =   7.68360 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -6.200  1.03414E+01  1.03414E+01  1.03414E+01

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

 Energ =  -6.00000 eV

 Vmoy = -11.53805 eV, Vmftabs = -21.17124 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.423E-05  -3.297E-02  -1.718E-03
  1  0    1  1     1.984E-03  -2.144E-01  -7.719E-03
  2  0    1  1     7.779E-03  -1.226E+00  -5.959E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.0296848563E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7862751134E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7862751134E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.1095519032E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1095519032E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1095519032E+01

 Convertion factor =   7.68647 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -6.000  1.10955E+01  1.10955E+01  1.10955E+01

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

 Energ =  -5.80000 eV

 Vmoy = -11.54431 eV, Vmftabs = -21.16558 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.409E-05  -3.276E-02  -1.708E-03
  1  0    1  1     1.934E-03  -2.089E-01  -7.522E-03
  2  0    1  1     7.446E-03  -1.173E+00  -5.705E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1389627092E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7108946880E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7108946880E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.1849133174E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1849133174E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1849133174E+01

 Convertion factor =   7.68933 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -5.800  1.18491E+01  1.18491E+01  1.18491E+01

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

 Energ =  -5.60000 eV

 Vmoy = -11.55025 eV, Vmftabs = -21.15997 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.396E-05  -3.257E-02  -1.698E-03
  1  0    1  1     1.887E-03  -2.038E-01  -7.339E-03
  2  0    1  1     7.139E-03  -1.125E+00  -5.470E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.2282369851E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6815587290E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6815587290E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2516389847E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2516389847E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2516389847E+01

 Convertion factor =   7.69219 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -5.600  1.25164E+01  1.25164E+01  1.25164E+01

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

 Energ =  -5.40000 eV

 Vmoy = -11.55574 eV, Vmftabs = -21.15439 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.384E-05  -3.239E-02  -1.689E-03
  1  0    1  1     1.843E-03  -1.990E-01  -7.166E-03
  2  0    1  1     6.856E-03  -1.080E+00  -5.253E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.2915758539E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6896884789E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6896884789E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3036108398E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3036108398E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3036108398E+01

 Convertion factor =   7.69505 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -5.400  1.30361E+01  1.30361E+01  1.30361E+01

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

 Energ =  -5.20000 eV

 Vmoy = -11.56087 eV, Vmftabs = -21.14885 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.373E-05  -3.221E-02  -1.680E-03
  1  0    1  1     1.802E-03  -1.945E-01  -7.004E-03
  2  0    1  1     6.593E-03  -1.038E+00  -5.052E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3255248183E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7309545895E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7309545895E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3373725889E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3373725889E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3373725889E+01

 Convertion factor =   7.69792 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -5.200  1.33737E+01  1.33737E+01  1.33737E+01

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

 Energ =  -5.00000 eV

 Vmoy = -11.56564 eV, Vmftabs = -21.14336 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.362E-05  -3.205E-02  -1.672E-03
  1  0    1  1     1.763E-03  -1.902E-01  -6.850E-03
  2  0    1  1     6.349E-03  -9.996E-01  -4.865E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3294054467E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8041095713E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8041095713E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3521818887E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3521818887E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3521818887E+01

 Convertion factor =   7.70078 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -5.000  1.35218E+01  1.35218E+01  1.35218E+01

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

 Energ =  -4.80000 eV

 Vmoy = -11.57010 eV, Vmftabs = -21.13789 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.352E-05  -3.190E-02  -1.664E-03
  1  0    1  1     1.726E-03  -1.862E-01  -6.706E-03
  2  0    1  1     6.122E-03  -9.636E-01  -4.692E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.3054908111E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9105564234E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9105564234E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3500816767E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3500816767E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3500816767E+01

 Convertion factor =   7.70364 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -4.800  1.35008E+01  1.35008E+01  1.35008E+01

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

 Energ =  -4.60000 eV

 Vmoy = -11.57429 eV, Vmftabs = -21.13247 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.342E-05  -3.175E-02  -1.657E-03
  1  0    1  1     1.691E-03  -1.824E-01  -6.569E-03
  2  0    1  1     5.909E-03  -9.301E-01  -4.529E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.2587991606E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0541885107E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0541885107E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3357094902E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3357094902E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3357094902E+01

 Convertion factor =   7.70650 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -4.600  1.33571E+01  1.33571E+01  1.33571E+01

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

 Energ =  -4.40000 eV

 Vmoy = -11.57819 eV, Vmftabs = -21.12707 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.333E-05  -3.161E-02  -1.650E-03
  1  0    1  1     1.658E-03  -1.788E-01  -6.439E-03
  2  0    1  1     5.711E-03  -8.987E-01  -4.377E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1963912322E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2418743261E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2418743261E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3158128780E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3158128780E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3158128780E+01

 Convertion factor =   7.70936 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -4.400  1.31581E+01  1.31581E+01  1.31581E+01

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

 Energ =  -4.20000 eV

 Vmoy = -11.58181 eV, Vmftabs = -21.12172 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.325E-05  -3.148E-02  -1.643E-03
  1  0    1  1     1.627E-03  -1.753E-01  -6.315E-03
  2  0    1  1     5.525E-03  -8.693E-01  -4.235E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1260901206E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4843583430E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4843583430E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2983694314E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2983694314E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2983694314E+01

 Convertion factor =   7.71223 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -4.200  1.29837E+01  1.29837E+01  1.29837E+01

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

 Energ =  -4.00000 eV

 Vmoy = -11.58514 eV, Vmftabs = -21.11639 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.317E-05  -3.135E-02  -1.637E-03
  1  0    1  1     1.597E-03  -1.721E-01  -6.198E-03
  2  0    1  1     5.350E-03  -8.416E-01  -4.101E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.0550315140E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7976435460E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7976435460E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.2916481785E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2916481785E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2916481785E+01

 Convertion factor =   7.71509 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -4.000  1.29165E+01  1.29165E+01  1.29165E+01

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

 Energ =  -3.80000 eV

 Vmoy = -11.58825 eV, Vmftabs = -21.11110 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.309E-05  -3.123E-02  -1.631E-03
  1  0    1  1     1.568E-03  -1.690E-01  -6.086E-03
  2  0    1  1     5.185E-03  -8.156E-01  -3.975E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.8861652190E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2052645028E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2052645028E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3037355380E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3037355380E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3037355380E+01

 Convertion factor =   7.71795 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -3.800  1.30374E+01  1.30374E+01  1.30374E+01

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

 Energ =  -3.60000 eV

 Vmoy = -11.59115 eV, Vmftabs = -21.10585 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.302E-05  -3.112E-02  -1.625E-03
  1  0    1  1     1.541E-03  -1.660E-01  -5.979E-03
  2  0    1  1     5.030E-03  -7.911E-01  -3.857E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.3092857520E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7458864399E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7458864399E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3440846906E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3440846906E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3440846906E+01

 Convertion factor =   7.72081 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -3.600  1.34408E+01  1.34408E+01  1.34408E+01

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

 Energ =  -3.40000 eV

 Vmoy = -11.59383 eV, Vmftabs = -21.10062 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.295E-05  -3.101E-02  -1.620E-03
  1  0    1  1     1.515E-03  -1.632E-01  -5.877E-03
  2  0    1  1     4.884E-03  -7.680E-01  -3.745E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 3

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.8179248050E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4591663254E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.4591663254E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.4189005965E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4189005965E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4189005965E+01

 Convertion factor =   7.72368 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -3.400  1.41890E+01  1.41890E+01  1.41890E+01

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

 Energ =  -3.20000 eV

 Vmoy = -11.59630 eV, Vmftabs = -21.09543 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.289E-05  -3.091E-02  -1.615E-03
  1  0    1  1     1.491E-03  -1.604E-01  -5.779E-03
  2  0    1  1     4.745E-03  -7.461E-01  -3.639E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.5295341964E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7688937478E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.7688937478E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.6053857354E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6053857354E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6053857354E+01

 Convertion factor =   7.72654 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -3.200  1.60539E+01  1.60539E+01  1.60539E+01

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

 Energ =  -3.00000 eV

 Vmoy = -11.59857 eV, Vmftabs = -21.09027 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.283E-05  -3.081E-02  -1.610E-03
  1  0    1  1     1.467E-03  -1.578E-01  -5.686E-03
  2  0    1  1     4.614E-03  -7.254E-01  -3.539E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.1995933437E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1668657467E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.1668657467E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8026659870E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8026659870E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8026659870E+01

 Convertion factor =   7.72940 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -3.000  1.80267E+01  1.80267E+01  1.80267E+01

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

 Energ =  -2.80000 eV

 Vmoy = -11.60070 eV, Vmftabs = -21.08513 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.277E-05  -3.072E-02  -1.605E-03
  1  0    1  1     1.444E-03  -1.554E-01  -5.597E-03
  2  0    1  1     4.490E-03  -7.058E-01  -3.444E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.9408100453E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.9928967800E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.9928967800E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0741282884E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0741282884E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0741282884E+01

 Convertion factor =   7.73226 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -2.800  2.07413E+01  2.07413E+01  2.07413E+01

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

 Energ =  -2.60000 eV

 Vmoy = -11.60267 eV, Vmftabs = -21.08003 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.271E-05  -3.063E-02  -1.601E-03
  1  0    1  1     1.422E-03  -1.530E-01  -5.511E-03
  2  0    1  1     4.372E-03  -6.871E-01  -3.354E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.7373669029E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1249668639E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1249668639E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.4189363345E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4189363345E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4189363345E+01

 Convertion factor =   7.73512 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -2.600  2.41894E+01  2.41894E+01  2.41894E+01

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

 Energ =  -2.40000 eV

 Vmoy = -11.60450 eV, Vmftabs = -21.07496 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.266E-05  -3.054E-02  -1.596E-03
  1  0    1  1     1.401E-03  -1.507E-01  -5.428E-03
  2  0    1  1     4.260E-03  -6.694E-01  -3.268E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.5739351602E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3765767406E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3765767406E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.8084375978E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8084375978E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8084375978E+01

 Convertion factor =   7.73799 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -2.400  2.80844E+01  2.80844E+01  2.80844E+01

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

 Energ =  -2.20000 eV

 Vmoy = -11.60621 eV, Vmftabs = -21.06991 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.261E-05  -3.046E-02  -1.592E-03
  1  0    1  1     1.381E-03  -1.485E-01  -5.349E-03
  2  0    1  1     4.154E-03  -6.525E-01  -3.186E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.4370771591E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6139246272E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6139246272E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.1772455762E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1772455762E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1772455762E+01

 Convertion factor =   7.74085 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -2.200  3.17725E+01  3.17725E+01  3.17725E+01

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

 Energ =  -2.00000 eV

 Vmoy = -11.60782 eV, Vmftabs = -21.06490 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.257E-05  -3.038E-02  -1.589E-03
  1  0    1  1     1.362E-03  -1.464E-01  -5.273E-03
  2  0    1  1     4.052E-03  -6.365E-01  -3.109E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.3164624729E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7880321621E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7880321621E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.4461684572E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4461684572E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4461684572E+01

 Convertion factor =   7.74371 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -2.000  3.44617E+01  3.44617E+01  3.44617E+01

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

 Energ =  -1.80000 eV

 Vmoy = -11.60933 eV, Vmftabs = -21.05991 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.252E-05  -3.031E-02  -1.585E-03
  1  0    1  1     1.343E-03  -1.443E-01  -5.199E-03
  2  0    1  1     3.955E-03  -6.211E-01  -3.034E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.2058994728E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8726137434E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8726137434E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.5726539473E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5726539473E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5726539473E+01

 Convertion factor =   7.74657 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -1.800  3.57265E+01  3.57265E+01  3.57265E+01

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

 Energ =  -1.60000 eV

 Vmoy = -11.61075 eV, Vmftabs = -21.05495 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.248E-05  -3.024E-02  -1.582E-03
  1  0    1  1     1.325E-03  -1.423E-01  -5.129E-03
  2  0    1  1     3.862E-03  -6.065E-01  -2.964E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.1042414987E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8790245164E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8790245164E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.5747785461E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5747785461E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5747785461E+01

 Convertion factor =   7.74944 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -1.600  3.57478E+01  3.57478E+01  3.57478E+01

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

 Energ =  -1.40000 eV

 Vmoy = -11.61208 eV, Vmftabs = -21.05002 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.245E-05  -3.017E-02  -1.578E-03
  1  0    1  1     1.308E-03  -1.404E-01  -5.060E-03
  2  0    1  1     3.774E-03  -5.925E-01  -2.896E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.0157736867E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8397070640E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8397070640E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.5047931974E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5047931974E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5047931974E+01

 Convertion factor =   7.75230 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -1.400  3.50479E+01  3.50479E+01  3.50479E+01

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

 Energ =  -1.20000 eV

 Vmoy = -11.61337 eV, Vmftabs = -21.04511 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.241E-05  -3.011E-02  -1.575E-03
  1  0    1  1     1.291E-03  -1.386E-01  -4.994E-03
  2  0    1  1     3.689E-03  -5.791E-01  -2.831E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.9499307708E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7852369331E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7852369331E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.4123735546E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4123735546E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4123735546E+01

 Convertion factor =   7.75516 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -1.200  3.41237E+01  3.41237E+01  3.41237E+01

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

 Energ =  -1.00000 eV

 Vmoy = -11.61462 eV, Vmftabs = -21.04023 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.237E-05  -3.004E-02  -1.572E-03
  1  0    1  1     1.275E-03  -1.368E-01  -4.931E-03
  2  0    1  1     3.608E-03  -5.663E-01  -2.769E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.9206375846E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7348505659E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7348505659E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.3294119122E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3294119122E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3294119122E+01

 Convertion factor =   7.75802 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -1.000  3.32941E+01  3.32941E+01  3.32941E+01

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

 Energ =  -0.80000 eV

 Vmoy = -11.61585 eV, Vmftabs = -21.03537 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.234E-05  -2.999E-02  -1.569E-03
  1  0    1  1     1.260E-03  -1.351E-01  -4.869E-03
  2  0    1  1     3.531E-03  -5.541E-01  -2.710E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.9444242555E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6976404411E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6976404411E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.2717786462E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2717786462E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2717786462E+01

 Convertion factor =   7.76088 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -0.800  3.27178E+01  3.27178E+01  3.27178E+01

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

 Energ =  -0.60000 eV

 Vmoy = -11.61713 eV, Vmftabs = -21.03054 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.231E-05  -2.993E-02  -1.567E-03
  1  0    1  1     1.245E-03  -1.335E-01  -4.810E-03
  2  0    1  1     3.456E-03  -5.423E-01  -2.653E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.0386600865E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6764529857E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6764529857E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.2454175840E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2454175840E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2454175840E+01

 Convertion factor =   7.76375 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -0.600  3.24542E+01  3.24542E+01  3.24542E+01

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

 Energ =  -0.40000 eV

 Vmoy = -11.61844 eV, Vmftabs = -21.02574 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.228E-05  -2.988E-02  -1.564E-03
  1  0    1  1     1.230E-03  -1.319E-01  -4.752E-03
  2  0    1  1     3.385E-03  -5.310E-01  -2.598E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.2198885426E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6709865949E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6709865949E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.2511696353E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2511696353E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2511696353E+01

 Convertion factor =   7.76661 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -0.400  3.25117E+01  3.25117E+01  3.25117E+01

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

 Energ =  -0.20000 eV

 Vmoy = -11.61987 eV, Vmftabs = -21.02096 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.226E-05  -2.983E-02  -1.562E-03
  1  0    1  1     1.216E-03  -1.303E-01  -4.696E-03
  2  0    1  1     3.316E-03  -5.201E-01  -2.545E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.5027003366E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6794760288E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6794760288E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.2873776729E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2873776729E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2873776729E+01

 Convertion factor =   7.76947 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    -0.200  3.28738E+01  3.28738E+01  3.28738E+01

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

 Energ =   0.00000 eV

 Vmoy = -11.62144 eV, Vmftabs = -21.01620 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.223E-05  -2.978E-02  -1.559E-03
  1  0    1  1     1.202E-03  -1.288E-01  -4.642E-03
  2  0    1  1     3.250E-03  -5.097E-01  -2.495E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.8987811182E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6995421831E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6995421831E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.3511699824E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3511699824E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3511699824E+01

 Convertion factor =   7.77233 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     0.000  3.35117E+01  3.35117E+01  3.35117E+01

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

 Energ =   0.50000 eV

 Vmoy = -11.62585 eV, Vmftabs = -21.00441 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.218E-05  -2.967E-02  -1.554E-03
  1  0    1  1     1.170E-03  -1.252E-01  -4.514E-03
  2  0    1  1     3.095E-03  -4.852E-01  -2.377E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.4235963530E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7824418656E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7824418656E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.6057946933E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6057946933E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6057946933E+01

 Convertion factor =   7.77949 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     0.500  3.60579E+01  3.60579E+01  3.60579E+01

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

 Energ =   1.00000 eV

 Vmoy = -11.63087 eV, Vmftabs = -20.99205 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.213E-05  -2.957E-02  -1.550E-03
  1  0    1  1     1.140E-03  -1.219E-01  -4.395E-03
  2  0    1  1     2.954E-03  -4.629E-01  -2.269E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1651400974E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8742100217E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8742100217E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.9308481126E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9308481126E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9308481126E+01

 Convertion factor =   7.78664 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     1.000  3.93085E+01  3.93085E+01  3.93085E+01

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

 Energ =   1.50000 eV

 Vmoy = -11.63633 eV, Vmftabs = -20.97728 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.210E-05  -2.949E-02  -1.546E-03
  1  0    1  1     1.112E-03  -1.188E-01  -4.284E-03
  2  0    1  1     2.825E-03  -4.426E-01  -2.170E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4214834799E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9237891487E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9237891487E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.2152494218E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2152494218E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2152494218E+01

 Convertion factor =   7.79380 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     1.500  4.21525E+01  4.21525E+01  4.21525E+01

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

 Energ =   2.00000 eV

 Vmoy = -11.64197 eV, Vmftabs = -20.96244 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.207E-05  -2.942E-02  -1.543E-03
  1  0    1  1     1.085E-03  -1.160E-01  -4.180E-03
  2  0    1  1     2.707E-03  -4.238E-01  -2.080E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.6438509369E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8894436586E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8894436586E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.3381906032E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3381906032E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.3381906032E+01

 Convertion factor =   7.80096 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     2.000  4.33819E+01  4.33819E+01  4.33819E+01

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

 Energ =   2.50000 eV

 Vmoy = -11.64783 eV, Vmftabs = -20.94778 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.205E-05  -2.935E-02  -1.540E-03
  1  0    1  1     1.061E-03  -1.133E-01  -4.083E-03
  2  0    1  1     2.598E-03  -4.066E-01  -1.996E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.7711415659E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7683867729E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7683867729E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.2463320894E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2463320894E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2463320894E+01

 Convertion factor =   7.80811 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     2.500  4.24633E+01  4.24633E+01  4.24633E+01

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

 Energ =   3.00000 eV

 Vmoy = -11.65379 eV, Vmftabs = -20.93327 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.204E-05  -2.930E-02  -1.538E-03
  1  0    1  1     1.038E-03  -1.107E-01  -3.992E-03
  2  0    1  1     2.497E-03  -3.907E-01  -1.919E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.7903078592E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6068570064E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6068570064E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.0032174976E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0032174976E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0032174976E+01

 Convertion factor =   7.81527 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     3.000  4.00322E+01  4.00322E+01  4.00322E+01

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

 Energ =   3.50000 eV

 Vmoy = -11.65972 eV, Vmftabs = -20.91892 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.204E-05  -2.926E-02  -1.536E-03
  1  0    1  1     1.016E-03  -1.084E-01  -3.906E-03
  2  0    1  1     2.404E-03  -3.760E-01  -1.848E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.7327567156E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4618276410E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4618276410E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.7251295980E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7251295980E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7251295980E+01

 Convertion factor =   7.82242 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     3.500  3.72513E+01  3.72513E+01  3.72513E+01

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

 Energ =   4.00000 eV

 Vmoy = -11.66571 eV, Vmftabs = -20.90473 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.204E-05  -2.923E-02  -1.535E-03
  1  0    1  1     9.962E-04  -1.061E-01  -3.826E-03
  2  0    1  1     2.317E-03  -3.623E-01  -1.782E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 3

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.6408646905E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3613681315E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3613681315E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.4908807628E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4908807628E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4908807628E+01

 Convertion factor =   7.82958 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     4.000  3.49088E+01  3.49088E+01  3.49088E+01

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

 Energ =   4.50000 eV

 Vmoy = -11.67188 eV, Vmftabs = -20.89068 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.204E-05  -2.920E-02  -1.534E-03
  1  0    1  1     9.770E-04  -1.040E-01  -3.750E-03
  2  0    1  1     2.237E-03  -3.496E-01  -1.720E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 4

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5443589833E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3053123751E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3053123751E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.3239869868E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3239869868E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3239869868E+01

 Convertion factor =   7.83673 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     4.500  3.32399E+01  3.32399E+01  3.32399E+01

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

 Energ =   5.00000 eV

 Vmoy = -11.67834 eV, Vmftabs = -20.87678 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.206E-05  -2.918E-02  -1.534E-03
  1  0    1  1     9.589E-04  -1.020E-01  -3.678E-03
  2  0    1  1     2.162E-03  -3.377E-01  -1.663E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4857734309E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3036151605E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3036151605E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.2744030015E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2744030015E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2744030015E+01

 Convertion factor =   7.84389 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     5.000  3.27440E+01  3.27440E+01  3.27440E+01

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

 Energ =   5.50000 eV

 Vmoy = -11.68543 eV, Vmftabs = -20.86301 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.207E-05  -2.917E-02  -1.534E-03
  1  0    1  1     9.418E-04  -1.001E-01  -3.610E-03
  2  0    1  1     2.092E-03  -3.267E-01  -1.609E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4419013992E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3166828622E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3166828622E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.2602136989E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2602136989E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2602136989E+01

 Convertion factor =   7.85104 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     5.500  3.26021E+01  3.26021E+01  3.26021E+01

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

 Energ =   6.00000 eV

 Vmoy = -11.69285 eV, Vmftabs = -20.84938 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.210E-05  -2.916E-02  -1.534E-03
  1  0    1  1     9.256E-04  -9.831E-02  -3.545E-03
  2  0    1  1     2.026E-03  -3.163E-01  -1.559E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4419272740E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3569128582E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3569128582E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.3246023922E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3246023922E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3246023922E+01

 Convertion factor =   7.85820 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     6.000  3.32460E+01  3.32460E+01  3.32460E+01

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

 Energ =   6.50000 eV

 Vmoy = -11.70079 eV, Vmftabs = -20.83588 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.212E-05  -2.917E-02  -1.535E-03
  1  0    1  1     9.102E-04  -9.661E-02  -3.484E-03
  2  0    1  1     1.964E-03  -3.065E-01  -1.511E-02

 iapr =  1, Z =  8, lmax = 2

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5036726898E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4242408419E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4242408419E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.4817234989E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4817234989E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4817234989E+01

 Convertion factor =   7.86536 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     6.500  3.48172E+01  3.48172E+01  3.48172E+01

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

 Energ =   7.00000 eV

 Vmoy = -11.71076 eV, Vmftabs = -20.82251 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.216E-05  -2.918E-02  -1.536E-03
  1  0    1  1     8.956E-04  -9.498E-02  -3.425E-03
  2  0    1  1     1.906E-03  -2.973E-01  -1.467E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.6164430341E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5599365062E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5599365062E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.7890528371E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7890528371E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7890528371E+01

 Convertion factor =   7.87251 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     7.000  3.78905E+01  3.78905E+01  3.78905E+01

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

 Energ =   7.50000 eV

 Vmoy = -11.72182 eV, Vmftabs = -20.80926 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.220E-05  -2.919E-02  -1.537E-03
  1  0    1  1     8.816E-04  -9.343E-02  -3.370E-03
  2  0    1  1     1.852E-03  -2.887E-01  -1.425E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5225985171E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2837120500E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2837120500E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.8720180937E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8720180937E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.8720180937E+01

 Convertion factor =   7.87967 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     7.500  4.87202E+01  4.87202E+01  4.87202E+01

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

 Energ =   8.00000 eV

 Vmoy = -11.73389 eV, Vmftabs = -20.79613 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.224E-05  -2.921E-02  -1.539E-03
  1  0    1  1     8.683E-04  -9.195E-02  -3.316E-03
  2  0    1  1     1.800E-03  -2.805E-01  -1.386E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.2625910859E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4199992096E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.4199992096E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.0820716041E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0820716041E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.0820716041E+01

 Convertion factor =   7.88682 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     8.000  8.08207E+01  8.08207E+01  8.08207E+01

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

 Energ =   8.50000 eV

 Vmoy = -11.74684 eV, Vmftabs = -20.78312 eV

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

 iapr =  0, Z =  8, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.229E-05  -2.924E-02  -1.541E-03
  1  0    1  1     8.556E-04  -9.054E-02  -3.266E-03
  2  0    1  1     1.751E-03  -2.729E-01  -1.348E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.2831564720E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1034506400E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1034506400E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.3920462016E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.3920462016E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.3920462016E+01

 Convertion factor =   7.89398 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     8.500  4.39205E+01  4.39205E+01  4.39205E+01

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

 Energ =   9.00000 eV

 Vmoy = -11.76103 eV, Vmftabs = -20.77022 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.234E-05  -2.927E-02  -1.543E-03
  1  0    1  1     8.435E-04  -8.920E-02  -3.217E-03
  2  0    1  1     1.705E-03  -2.656E-01  -1.313E-02
  3  0    1  1     6.073E-03  -1.147E+00  -6.535E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4707110161E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8029359404E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8029359404E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.0612663175E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0612663175E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0612663175E+01

 Convertion factor =   7.90113 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     9.000  4.06127E+01  4.06127E+01  4.06127E+01

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

 Energ =   9.50000 eV

 Vmoy = -11.77589 eV, Vmftabs = -20.75743 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.239E-05  -2.931E-02  -1.546E-03
  1  0    1  1     8.319E-04  -8.791E-02  -3.171E-03
  2  0    1  1     1.662E-03  -2.587E-01  -1.280E-02
  3  0    1  1     5.844E-03  -1.104E+00  -6.292E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.7500371015E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9070407058E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9070407058E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.4512948106E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4512948106E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.4512948106E+01

 Convertion factor =   7.90829 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
     9.500  4.45129E+01  4.45129E+01  4.45129E+01

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

 Energ =  10.00000 eV

 Vmoy = -11.79172 eV, Vmftabs = -20.74475 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.245E-05  -2.936E-02  -1.549E-03
  1  0    1  1     8.208E-04  -8.667E-02  -3.126E-03
  2  0    1  1     1.620E-03  -2.521E-01  -1.248E-02
  3  0    1  1     5.629E-03  -1.063E+00  -6.063E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.0876262097E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0507581609E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0507581609E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.9513140252E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9513140252E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.9513140252E+01

 Convertion factor =   7.91544 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    10.000  4.95131E+01  4.95131E+01  4.95131E+01

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

 Energ =  10.50000 eV

 Vmoy = -11.80823 eV, Vmftabs = -20.73218 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.251E-05  -2.941E-02  -1.552E-03
  1  0    1  1     8.102E-04  -8.549E-02  -3.083E-03
  2  0    1  1     1.581E-03  -2.459E-01  -1.218E-02
  3  0    1  1     5.428E-03  -1.025E+00  -5.849E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.4310798949E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0903993580E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0903993580E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.2895028888E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2895028888E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.2895028888E+01

 Convertion factor =   7.92260 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    10.500  5.28950E+01  5.28950E+01  5.28950E+01

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

 Energ =  11.00000 eV

 Vmoy = -11.82490 eV, Vmftabs = -20.71971 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.258E-05  -2.946E-02  -1.556E-03
  1  0    1  1     8.000E-04  -8.435E-02  -3.043E-03
  2  0    1  1     1.544E-03  -2.401E-01  -1.189E-02
  3  0    1  1     5.239E-03  -9.888E-01  -5.648E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.7056298914E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9753131634E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9753131634E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.3250049745E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3250049745E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.3250049745E+01

 Convertion factor =   7.92975 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    11.000  5.32500E+01  5.32500E+01  5.32500E+01

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

 Energ =  11.50000 eV

 Vmoy = -11.84135 eV, Vmftabs = -20.70733 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.265E-05  -2.952E-02  -1.559E-03
  1  0    1  1     7.903E-04  -8.326E-02  -3.003E-03
  2  0    1  1     1.508E-03  -2.345E-01  -1.162E-02
  3  0    1  1     5.060E-03  -9.549E-01  -5.458E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.8646645785E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7628738431E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7628738431E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.1123298118E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1123298118E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.1123298118E+01

 Convertion factor =   7.93691 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    11.500  5.11233E+01  5.11233E+01  5.11233E+01

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

 Energ =  12.00000 eV

 Vmoy = -11.85691 eV, Vmftabs = -20.69506 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.272E-05  -2.958E-02  -1.563E-03
  1  0    1  1     7.809E-04  -8.222E-02  -2.966E-03
  2  0    1  1     1.475E-03  -2.291E-01  -1.137E-02
  3  0    1  1     4.893E-03  -9.230E-01  -5.279E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.9454543569E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5370828372E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5370828372E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.8156960250E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.8156960250E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.8156960250E+01

 Convertion factor =   7.94407 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    12.000  4.81570E+01  4.81570E+01  4.81570E+01

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

 Energ =  12.50000 eV

 Vmoy = -11.87159 eV, Vmftabs = -20.68288 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.280E-05  -2.965E-02  -1.567E-03
  1  0    1  1     7.720E-04  -8.122E-02  -2.930E-03
  2  0    1  1     1.443E-03  -2.241E-01  -1.112E-02
  3  0    1  1     4.734E-03  -8.929E-01  -5.111E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.9989486782E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3436865539E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3436865539E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.5490574289E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5490574289E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.5490574289E+01

 Convertion factor =   7.95122 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    12.500  4.54906E+01  4.54906E+01  4.54906E+01

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

 Energ =  13.00000 eV

 Vmoy = -11.88560 eV, Vmftabs = -20.67080 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.287E-05  -2.971E-02  -1.571E-03
  1  0    1  1     7.633E-04  -8.025E-02  -2.895E-03
  2  0    1  1     1.412E-03  -2.192E-01  -1.089E-02
  3  0    1  1     4.584E-03  -8.645E-01  -4.951E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.9318703578E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1935863984E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1935863984E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.2552345237E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2552345237E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2552345237E+01

 Convertion factor =   7.95838 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    13.000  4.25523E+01  4.25523E+01  4.25523E+01

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

 Energ =  13.50000 eV

 Vmoy = -11.89868 eV, Vmftabs = -20.65881 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.295E-05  -2.978E-02  -1.575E-03
  1  0    1  1     7.551E-04  -7.932E-02  -2.861E-03
  2  0    1  1     1.383E-03  -2.146E-01  -1.066E-02
  3  0    1  1     4.443E-03  -8.376E-01  -4.800E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.6311908429E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0871550686E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0871550686E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.8444007841E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8444007841E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8444007841E+01

 Convertion factor =   7.96553 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    13.500  3.84440E+01  3.84440E+01  3.84440E+01

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

 Energ =  14.00000 eV

 Vmoy = -11.91086 eV, Vmftabs = -20.64691 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.304E-05  -2.986E-02  -1.580E-03
  1  0    1  1     7.471E-04  -7.843E-02  -2.829E-03
  2  0    1  1     1.355E-03  -2.102E-01  -1.045E-02
  3  0    1  1     4.309E-03  -8.121E-01  -4.658E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2010520436E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0185447423E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0185447423E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.3905132226E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3905132226E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3905132226E+01

 Convertion factor =   7.97269 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    14.000  3.39051E+01  3.39051E+01  3.39051E+01

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

 Energ =  14.50000 eV

 Vmoy = -11.92009 eV, Vmftabs = -20.63509 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.312E-05  -2.993E-02  -1.584E-03
  1  0    1  1     7.395E-04  -7.757E-02  -2.798E-03
  2  0    1  1     1.328E-03  -2.060E-01  -1.024E-02
  3  0    1  1     4.182E-03  -7.879E-01  -4.522E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.7896803551E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.7911307067E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.7911307067E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.9983251971E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9983251971E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9983251971E+01

 Convertion factor =   7.97984 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    14.500  2.99833E+01  2.99833E+01  2.99833E+01

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

 Energ =  15.00000 eV

 Vmoy = -11.92819 eV, Vmftabs = -20.62336 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.320E-05  -3.001E-02  -1.589E-03
  1  0    1  1     7.321E-04  -7.674E-02  -2.768E-03
  2  0    1  1     1.303E-03  -2.019E-01  -1.005E-02
  3  0    1  1     4.061E-03  -7.650E-01  -4.394E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 5

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4524729986E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.6009072616E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.6009072616E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.6981235607E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6981235607E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6981235607E+01

 Convertion factor =   7.98700 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    15.000  2.69812E+01  2.69812E+01  2.69812E+01

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

 Energ =  15.50000 eV

 Vmoy = -11.93437 eV, Vmftabs = -20.61171 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.329E-05  -3.009E-02  -1.594E-03
  1  0    1  1     7.250E-04  -7.595E-02  -2.740E-03
  2  0    1  1     1.278E-03  -1.981E-01  -9.860E-03
  3  0    1  1     3.947E-03  -7.433E-01  -4.272E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1826489826E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.4619813380E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.4619813380E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.4600362002E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4600362002E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4600362002E+01

 Convertion factor =   7.99415 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    15.500  2.46004E+01  2.46004E+01  2.46004E+01

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

 Energ =  16.00000 eV

 Vmoy = -11.93770 eV, Vmftabs = -20.60015 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.337E-05  -3.016E-02  -1.598E-03
  1  0    1  1     7.182E-04  -7.518E-02  -2.712E-03
  2  0    1  1     1.255E-03  -1.943E-01  -9.680E-03
  3  0    1  1     3.838E-03  -7.225E-01  -4.155E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.8257444167E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.4629208003E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.4629208003E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.3001268814E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3001268814E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3001268814E+01

 Convertion factor =   8.00131 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    16.000  2.30013E+01  2.30013E+01  2.30013E+01

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

 Energ =  16.50000 eV

 Vmoy = -11.93841 eV, Vmftabs = -20.58866 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.346E-05  -3.024E-02  -1.603E-03
  1  0    1  1     7.116E-04  -7.443E-02  -2.685E-03
  2  0    1  1     1.232E-03  -1.908E-01  -9.508E-03
  3  0    1  1     3.734E-03  -7.028E-01  -4.045E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.2862233957E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.4796651025E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.4796651025E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.1796442881E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1796442881E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1796442881E+01

 Convertion factor =   8.00847 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    16.500  2.17964E+01  2.17964E+01  2.17964E+01

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

 Energ =  17.00000 eV

 Vmoy = -11.93671 eV, Vmftabs = -20.57699 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.354E-05  -3.032E-02  -1.608E-03
  1  0    1  1     7.053E-04  -7.371E-02  -2.659E-03
  2  0    1  1     1.210E-03  -1.873E-01  -9.341E-03
  3  0    1  1     3.635E-03  -6.840E-01  -3.939E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.1010920966E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.4824269406E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.4824269406E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0852756782E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0852756782E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0852756782E+01

 Convertion factor =   8.01562 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    17.000  2.08528E+01  2.08528E+01  2.08528E+01

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

 Energ =  17.50000 eV

 Vmoy = -11.93264 eV, Vmftabs = -20.56210 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.363E-05  -3.040E-02  -1.613E-03
  1  0    1  1     6.991E-04  -7.302E-02  -2.634E-03
  2  0    1  1     1.190E-03  -1.840E-01  -9.182E-03
  3  0    1  1     3.540E-03  -6.661E-01  -3.838E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.1941343774E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.4598782204E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.4598782204E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0091112655E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0091112655E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0091112655E+01

 Convertion factor =   8.02278 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    17.500  2.00911E+01  2.00911E+01  2.00911E+01

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

 Energ =  18.00000 eV

 Vmoy = -11.92645 eV, Vmftabs = -20.54522 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.372E-05  -3.049E-02  -1.618E-03
  1  0    1  1     6.932E-04  -7.235E-02  -2.610E-03
  2  0    1  1     1.170E-03  -1.809E-01  -9.028E-03
  3  0    1  1     3.450E-03  -6.490E-01  -3.742E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.5097624781E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.4156370663E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.4156370663E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.9472829289E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9472829289E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9472829289E+01

 Convertion factor =   8.02993 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    18.000  1.94728E+01  1.94728E+01  1.94728E+01

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

 Energ =  18.50000 eV

 Vmoy = -11.91803 eV, Vmftabs = -20.52845 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.381E-05  -3.057E-02  -1.623E-03
  1  0    1  1     6.875E-04  -7.170E-02  -2.586E-03
  2  0    1  1     1.150E-03  -1.778E-01  -8.881E-03
  3  0    1  1     3.364E-03  -6.326E-01  -3.651E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.0058230262E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.3616661201E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.3616661201E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8983324213E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8983324213E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8983324213E+01

 Convertion factor =   8.03709 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    18.500  1.89833E+01  1.89833E+01  1.89833E+01

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

 Energ =  19.00000 eV

 Vmoy = -11.90697 eV, Vmftabs = -20.51179 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.390E-05  -3.065E-02  -1.628E-03
  1  0    1  1     6.820E-04  -7.107E-02  -2.563E-03
  2  0    1  1     1.132E-03  -1.749E-01  -8.738E-03
  3  0    1  1     3.282E-03  -6.170E-01  -3.563E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 4

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.6488885589E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.3117363598E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.3117363598E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8617889023E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8617889023E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8617889023E+01

 Convertion factor =   8.04424 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    19.000  1.86179E+01  1.86179E+01  1.86179E+01

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

 Energ =  19.50000 eV

 Vmoy = -11.89286 eV, Vmftabs = -20.49523 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.399E-05  -3.074E-02  -1.633E-03
  1  0    1  1     6.766E-04  -7.046E-02  -2.541E-03
  2  0    1  1     1.114E-03  -1.720E-01  -8.601E-03
  3  0    1  1     3.204E-03  -6.021E-01  -3.479E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.4134309186E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2752141292E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.2752141292E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8371087342E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8371087342E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8371087342E+01

 Convertion factor =   8.05140 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    19.500  1.83711E+01  1.83711E+01  1.83711E+01

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

 Energ =  20.00000 eV

 Vmoy = -11.87604 eV, Vmftabs = -20.47878 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.408E-05  -3.082E-02  -1.638E-03
  1  0    1  1     6.714E-04  -6.987E-02  -2.520E-03
  2  0    1  1     1.097E-03  -1.693E-01  -8.469E-03
  3  0    1  1     3.128E-03  -5.878E-01  -3.399E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.2714034959E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.2648604909E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.2648604909E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8240899582E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8240899582E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8240899582E+01

 Convertion factor =   8.05855 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    20.000  1.82409E+01  1.82409E+01  1.82409E+01

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

 Energ =  21.00000 eV

 Vmoy = -11.83684 eV, Vmftabs = -20.44618 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.426E-05  -3.099E-02  -1.648E-03
  1  0    1  1     6.615E-04  -6.874E-02  -2.479E-03
  2  0    1  1     1.064E-03  -1.641E-01  -8.217E-03
  3  0    1  1     2.986E-03  -5.609E-01  -3.247E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.2007367023E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.3407668588E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.3407668588E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8305816336E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8305816336E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8305816336E+01

 Convertion factor =   8.07287 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    21.000  1.83058E+01  1.83058E+01  1.83058E+01

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

 Energ =  22.00000 eV

 Vmoy = -11.79396 eV, Vmftabs = -20.41398 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.444E-05  -3.116E-02  -1.658E-03
  1  0    1  1     6.522E-04  -6.767E-02  -2.441E-03
  2  0    1  1     1.033E-03  -1.592E-01  -7.981E-03
  3  0    1  1     2.855E-03  -5.359E-01  -3.107E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.3256988327E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.5870830924E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.5870830924E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8799892014E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8799892014E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8799892014E+01

 Convertion factor =   8.08718 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    22.000  1.87999E+01  1.87999E+01  1.87999E+01

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

 Energ =  23.00000 eV

 Vmoy = -11.74649 eV, Vmftabs = -20.38216 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.463E-05  -3.134E-02  -1.668E-03
  1  0    1  1     6.434E-04  -6.665E-02  -2.404E-03
  2  0    1  1     1.004E-03  -1.546E-01  -7.759E-03
  3  0    1  1     2.733E-03  -5.128E-01  -2.977E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.5720693037E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0068986689E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0068986689E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.9768034146E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9768034146E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9768034146E+01

 Convertion factor =   8.10149 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    23.000  1.97680E+01  1.97680E+01  1.97680E+01

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

 Energ =  24.00000 eV

 Vmoy = -11.69468 eV, Vmftabs = -20.35071 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.482E-05  -3.152E-02  -1.679E-03
  1  0    1  1     6.350E-04  -6.569E-02  -2.369E-03
  2  0    1  1     9.767E-04  -1.503E-01  -7.550E-03
  3  0    1  1     2.620E-03  -4.913E-01  -2.856E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.8917526450E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0840822902E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0840822902E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.1258718760E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1258718760E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1258718760E+01

 Convertion factor =   8.11580 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    24.000  2.12587E+01  2.12587E+01  2.12587E+01

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

 Energ =  25.00000 eV

 Vmoy = -11.63954 eV, Vmftabs = -20.31962 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.501E-05  -3.171E-02  -1.690E-03
  1  0    1  1     6.271E-04  -6.478E-02  -2.336E-03
  2  0    1  1     9.510E-04  -1.463E-01  -7.353E-03
  3  0    1  1     2.514E-03  -4.713E-01  -2.743E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.2527884698E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1804069880E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1804069880E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.3088742584E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3088742584E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3088742584E+01

 Convertion factor =   8.13011 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    25.000  2.30887E+01  2.30887E+01  2.30887E+01

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

 Energ =  26.00000 eV

 Vmoy = -11.58194 eV, Vmftabs = -20.28887 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.521E-05  -3.190E-02  -1.702E-03
  1  0    1  1     6.196E-04  -6.391E-02  -2.304E-03
  2  0    1  1     9.267E-04  -1.424E-01  -7.167E-03
  3  0    1  1     2.416E-03  -4.526E-01  -2.638E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.6339817314E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2486320063E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2486320063E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.4485297486E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4485297486E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4485297486E+01

 Convertion factor =   8.14442 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    26.000  2.44853E+01  2.44853E+01  2.44853E+01

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

 Energ =  27.00000 eV

 Vmoy = -11.52163 eV, Vmftabs = -20.25845 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.541E-05  -3.209E-02  -1.713E-03
  1  0    1  1     6.124E-04  -6.308E-02  -2.274E-03
  2  0    1  1     9.038E-04  -1.388E-01  -6.991E-03
  3  0    1  1     2.324E-03  -4.351E-01  -2.540E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.0227299178E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2243490533E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2243490533E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.4407768786E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4407768786E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4407768786E+01

 Convertion factor =   8.15873 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    27.000  2.44078E+01  2.44078E+01  2.44078E+01

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

 Energ =  28.00000 eV

 Vmoy = -11.46022 eV, Vmftabs = -20.22836 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.562E-05  -3.230E-02  -1.725E-03
  1  0    1  1     6.056E-04  -6.228E-02  -2.245E-03
  2  0    1  1     8.820E-04  -1.353E-01  -6.824E-03
  3  0    1  1     2.237E-03  -4.187E-01  -2.447E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.4155492529E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1085197229E+00  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1085197229E+00

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.2868754968E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2868754968E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2868754968E+01

 Convertion factor =   8.17304 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    28.000  2.28688E+01  2.28688E+01  2.28688E+01

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

 Energ =  29.00000 eV

 Vmoy = -11.39768 eV, Vmftabs = -20.19857 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.583E-05  -3.251E-02  -1.737E-03
  1  0    1  1     5.992E-04  -6.153E-02  -2.218E-03
  2  0    1  1     8.613E-04  -1.320E-01  -6.665E-03
  3  0    1  1     2.156E-03  -4.033E-01  -2.360E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 6

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.8158938728E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.6647671506E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.6647671506E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.0916342539E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0916342539E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0916342539E+01

 Convertion factor =   8.18735 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    29.000  2.09163E+01  2.09163E+01  2.09163E+01

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

 Energ =  30.00000 eV

 Vmoy = -11.33525 eV, Vmftabs = -20.16909 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.605E-05  -3.272E-02  -1.750E-03
  1  0    1  1     5.930E-04  -6.080E-02  -2.191E-03
  2  0    1  1     8.417E-04  -1.289E-01  -6.515E-03
  3  0    1  1     2.080E-03  -3.889E-01  -2.279E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 7

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.2636799879E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4077627283E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.4077627283E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.9263364356E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9263364356E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9263364356E+01

 Convertion factor =   8.20167 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    30.000  1.92634E+01  1.92634E+01  1.92634E+01

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

 Energ =  31.00000 eV

 Vmoy = -11.27366 eV, Vmftabs = -20.13991 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.628E-05  -3.295E-02  -1.763E-03
  1  0    1  1     5.871E-04  -6.011E-02  -2.166E-03
  2  0    1  1     8.231E-04  -1.260E-01  -6.372E-03
  3  0    1  1     2.008E-03  -3.753E-01  -2.202E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 7

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.7102763392E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5866481399E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.5866481399E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8306858095E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8306858095E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8306858095E+01

 Convertion factor =   8.21598 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    31.000  1.83069E+01  1.83069E+01  1.83069E+01

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

 Energ =  32.00000 eV

 Vmoy = -11.21156 eV, Vmftabs = -20.11100 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.651E-05  -3.318E-02  -1.777E-03
  1  0    1  1     5.814E-04  -5.944E-02  -2.142E-03
  2  0    1  1     8.054E-04  -1.232E-01  -6.236E-03
  3  0    1  1     1.941E-03  -3.625E-01  -2.130E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 7

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.1889527835E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.1072437377E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.1072437377E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.7922752207E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7922752207E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7922752207E+01

 Convertion factor =   8.23029 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    32.000  1.79228E+01  1.79228E+01  1.79228E+01

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

 Energ =  33.00000 eV

 Vmoy = -11.14844 eV, Vmftabs = -20.08238 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.674E-05  -3.342E-02  -1.790E-03
  1  0    1  1     5.760E-04  -5.880E-02  -2.118E-03
  2  0    1  1     7.885E-04  -1.205E-01  -6.106E-03
  3  0    1  1     1.877E-03  -3.504E-01  -2.061E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 7

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.7008796007E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8942074074E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.8942074074E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.7991435532E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7991435532E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7991435532E+01

 Convertion factor =   8.24460 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    33.000  1.79914E+01  1.79914E+01  1.79914E+01

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

 Energ =  34.00000 eV

 Vmoy = -11.08583 eV, Vmftabs = -20.05402 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.699E-05  -3.366E-02  -1.805E-03
  1  0    1  1     5.709E-04  -5.819E-02  -2.096E-03
  2  0    1  1     7.724E-04  -1.179E-01  -5.983E-03
  3  0    1  1     1.817E-03  -3.390E-01  -1.997E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 7

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.2402273564E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.8212500190E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.8212500190E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8306181916E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8306181916E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8306181916E+01

 Convertion factor =   8.25891 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    34.000  1.83062E+01  1.83062E+01  1.83062E+01

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

 Energ =  35.00000 eV

 Vmoy = -11.02305 eV, Vmftabs = -20.02593 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.723E-05  -3.391E-02  -1.819E-03
  1  0    1  1     5.659E-04  -5.760E-02  -2.074E-03
  2  0    1  1     7.570E-04  -1.155E-01  -5.865E-03
  3  0    1  1     1.760E-03  -3.282E-01  -1.936E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 7

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  9.7892675559E-01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.7519277955E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7519277955E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8634498518E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8634498518E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8634498518E+01

 Convertion factor =   8.27322 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    35.000  1.86345E+01  1.86345E+01  1.86345E+01

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

 Energ =  36.00000 eV

 Vmoy = -10.95969 eV, Vmftabs = -19.99809 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.749E-05  -3.417E-02  -1.834E-03
  1  0    1  1     5.612E-04  -5.703E-02  -2.054E-03
  2  0    1  1     7.424E-04  -1.132E-01  -5.752E-03
  3  0    1  1     1.706E-03  -3.179E-01  -1.878E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 7

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.0311922929E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6427177285E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.6427177285E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8877886709E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8877886709E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8877886709E+01

 Convertion factor =   8.28753 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    36.000  1.88779E+01  1.88779E+01  1.88779E+01

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

 Energ =  37.00000 eV

 Vmoy = -10.89632 eV, Vmftabs = -19.97051 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.775E-05  -3.444E-02  -1.850E-03
  1  0    1  1     5.567E-04  -5.649E-02  -2.034E-03
  2  0    1  1     7.283E-04  -1.109E-01  -5.644E-03
  3  0    1  1     1.654E-03  -3.082E-01  -1.823E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 7

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.0749337616E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.5208447493E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.5208447493E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.9032821692E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9032821692E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9032821692E+01

 Convertion factor =   8.30184 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    37.000  1.90328E+01  1.90328E+01  1.90328E+01

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

 Energ =  38.00000 eV

 Vmoy = -10.83323 eV, Vmftabs = -19.94343 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.801E-05  -3.471E-02  -1.866E-03
  1  0    1  1     5.523E-04  -5.596E-02  -2.014E-03
  2  0    1  1     7.149E-04  -1.088E-01  -5.541E-03
  3  0    1  1     1.606E-03  -2.990E-01  -1.771E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 7

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1031560711E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.3925217954E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.3925217954E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.9053283441E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9053283441E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9053283441E+01

 Convertion factor =   8.31615 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    38.000  1.90533E+01  1.90533E+01  1.90533E+01

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

 Energ =  39.00000 eV

 Vmoy = -10.77096 eV, Vmftabs = -19.91763 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.828E-05  -3.499E-02  -1.882E-03
  1  0    1  1     5.481E-04  -5.546E-02  -1.996E-03
  2  0    1  1     7.020E-04  -1.068E-01  -5.442E-03
  3  0    1  1     1.560E-03  -2.903E-01  -1.721E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 7

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1055986531E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2452456822E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.2452456822E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8837182317E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8837182317E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8837182317E+01

 Convertion factor =   8.33046 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    39.000  1.88372E+01  1.88372E+01  1.88372E+01

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

 Energ =  40.00000 eV

 Vmoy = -10.70976 eV, Vmftabs = -19.89235 eV

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

 iapr =  0, Z =  8, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.856E-05  -3.528E-02  -1.899E-03
  1  0    1  1     5.441E-04  -5.497E-02  -1.978E-03
  2  0    1  1     6.897E-04  -1.048E-01  -5.347E-03
  3  0    1  1     1.516E-03  -2.820E-01  -1.674E-02

 iapr =  1, Z =  8, lmax = 3

 iapr =  2, Z = 92, lmax = 7

 iapr =  3, Z = 56, lmax = 5

 iapr =  4, Z = 30, lmax = 5

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.0726180366E+00  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.0683259019E-01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0683259019E-01

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.8290265736E+01  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8290265736E+01  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8290265736E+01

 Convertion factor =   8.34478 (numb. of electron/Mbarn)

   Total signal

    Energy    (0-10)       (100)       <xanes>   
    40.000  1.82903E+01  1.82903E+01  1.82903E+01

------------------------------------------------------------------------------------------------------------------------

 Subroutine time (sCPU)
    Lectur =      0.750    Reseau =      0.266    Potent =      0.031
    Ylm    =      0.000    Potex  =      0.188    Sphere =      1.656
    Mat    =     46.563    Tensor =      0.047    Coabs  =      0.266
    Rempli =     44.750    Triang =      1.891
    Total  =     51.672
