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

 Ga K edge in GaN                                                                                                                   

 Threshold: Gallium 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 = -15.000   0.500   0.000   1.000  20.000   2.000  70.000
 Dipole component
 Non-relativistic calculation
 Non-magnetic calculation
 Real bases
 Multiple scattering calculation (Green)
    Optimized type muffin-tin radius
    Overlap of the muffin-tin radius  =  0.10
    Limitation on the maximum value of l

 Calculation in double precision

 DAFS : (h, k, l)  Polarization   Angle_i   Angle_o  Azimuth
         1  1  0   sigma sigma     0.000     0.000    90.000

 ngroup =    4, ntype = 2
   Crystal
   a, b, c =  3.18700  3.18700  5.18600
   alfa, beta, gamma =   90.000   90.000  120.000
    typ    posx      posy      posz      popats
     1   0.00000   0.00000   0.00000
     1   0.33333   0.66667   0.50000
     2   0.00000   0.00000   0.37500
     2   0.33333   0.66667   0.87500

 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 = 31   Non relativistic atomic calculation
   n  l     pop
   3  0    2.000
   3  1    6.000
   3  2   10.000
   4  0    2.000
   4  1    1.000

 Atom type  2,  Z =  7   Non relativistic atomic calculation
   n  l     pop
   1  0    2.000
   2  0    2.000
   2  1    3.000

 FDM atom radius = 1.000 0.500

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

   ipr =  1, Z = 31, natomsym =     2

  igr      posx     posy     posz          sym    code
    1    0.00000  0.00000  0.00000            E     1
    2    0.33333  0.66667  0.50000          C2z    24

   ipr =  2, Z =  7, natomsym =     2

  igr      posx     posy     posz          sym    code
    3    0.00000  0.00000  0.37500            E     1
    4    0.33333  0.66667  0.87500          C2z    24

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

 E_edge = 10367.00 eV, WorkF =   4.00 eV

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

 Excited atom, type 0,  Z = 31   Non relativistic atomic calculation
   n  l     pop
   3  0    2.000
   3  1    6.000
   3  2   10.000
   4  0    2.000
   4  1    2.000

 Atom type                     Z  n  l  popatv
  0  Dirac                    31
  1  Dirac                    31
  2  Dirac                     7

 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 = 4
   l_screening_orbital = 1
   Screening = 1.000

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

 iprabs =  1

  ipr  it    charge   popatm(1)  popatm(2)
   0   0    0.00000
   1   1    0.00000
   2   2    0.00000

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

 Cluster radius = 3.00 A, nb. of atom =   5
 Potential sup calculation: cluster radius = 6.09 A, nb. of atom =  89

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

 Index of the absorbing atom, iaabs =  1

 Point group : 3m       (C3v  )

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

 Point group used : 3        (C3   )

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

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

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

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

 Transformation Crystal Bases - Bases R1 :
     6.02256 -3.01128  0.00000
     0.00000  5.21569  0.00000
     0.00000  0.00000  9.80012

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

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

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

 Transformation Crystal Bases - Bases R2 :
     6.02256 -3.01128  0.00000
     0.00000  5.21569  0.00000
     0.00000  0.00000  9.80012

 Inverse matrix :
     0.16604  0.09586  0.00000
     0.00000  0.19173  0.00000
     0.00000  0.00000  0.10204

 Atom positions in order, in the internal R2 bases
   Z      posx       posy       posz          dista    ia   igr ity ipr  chargat
  31   0.000000   0.000000   0.000000   !    0.000000   1     1   1   1  0.00000
   7   0.000000   0.000000   1.944750   !    1.944750   2     3   2   2  0.00000
   7   1.593500  -0.920008  -0.648250   !    1.950868   3     4   2   2  0.00000
   7  -1.593500  -0.920008  -0.648250   !    1.950868   4     4   2   2  0.00000
   7   0.000000   1.840015  -0.648250   !    1.950868   5     4   2   2  0.00000
  31   1.593500  -0.920008   2.593000   !    3.179513   6     2   1   1  0.00000
  31   1.593500  -0.920008  -2.593000   !    3.179513   7     2   1   1  0.00000
  31  -1.593500  -0.920008   2.593000   !    3.179513   8     2   1   1  0.00000
  31  -1.593500  -0.920008  -2.593000   !    3.179513   9     2   1   1  0.00000
  31   0.000000   1.840015   2.593000   !    3.179513  10     2   1   1  0.00000
  31   0.000000   1.840015  -2.593000   !    3.179513  11     2   1   1  0.00000
  31  -1.593500  -2.760023   0.000000   !    3.187000  12     1   1   1  0.00000
  31  -3.187000   0.000000   0.000000   !    3.187000  13     1   1   1  0.00000
  31   1.593500  -2.760023   0.000000   !    3.187000  14     1   1   1  0.00000
  31  -1.593500   2.760023   0.000000   !    3.187000  15     1   1   1  0.00000
  31   3.187000   0.000000   0.000000   !    3.187000  16     1   1   1  0.00000
  31   1.593500   2.760023   0.000000   !    3.187000  17     1   1   1  0.00000
   7   0.000000   0.000000  -3.241250   !    3.241250  18     3   2   2  0.00000
   7  -1.593500  -2.760023   1.944750   !    3.733500  19     3   2   2  0.00000
   7  -1.593500   2.760023   1.944750   !    3.733500  20     3   2   2  0.00000
   7  -3.187000   0.000000   1.944750   !    3.733500  21     3   2   2  0.00000
   7   3.187000   0.000000   1.944750   !    3.733500  22     3   2   2  0.00000
   7   1.593500  -2.760023   1.944750   !    3.733500  23     3   2   2  0.00000
   7   1.593500   2.760023   1.944750   !    3.733500  24     3   2   2  0.00000
   7   0.000000  -3.680031  -0.648250   !    3.736690  25     4   2   2  0.00000
   7   3.187000   1.840015  -0.648250   !    3.736690  26     4   2   2  0.00000
   7  -3.187000   1.840015  -0.648250   !    3.736690  27     4   2   2  0.00000
  31   3.187000   1.840015   2.593000   !    4.501808  28     2   1   1  0.00000
  31   3.187000   1.840015  -2.593000   !    4.501808  29     2   1   1  0.00000
  31   0.000000  -3.680031   2.593000   !    4.501808  30     2   1   1  0.00000
  31   0.000000  -3.680031  -2.593000   !    4.501808  31     2   1   1  0.00000
  31  -3.187000   1.840015   2.593000   !    4.501808  32     2   1   1  0.00000
  31  -3.187000   1.840015  -2.593000   !    4.501808  33     2   1   1  0.00000
   7  -1.593500  -2.760023  -3.241250   !    4.545621  34     3   2   2  0.00000
   7   1.593500  -2.760023  -3.241250   !    4.545621  35     3   2   2  0.00000
   7  -3.187000   0.000000  -3.241250   !    4.545621  36     3   2   2  0.00000
   7   1.593500   2.760023  -3.241250   !    4.545621  37     3   2   2  0.00000
   7   3.187000   0.000000  -3.241250   !    4.545621  38     3   2   2  0.00000
   7  -1.593500   2.760023  -3.241250   !    4.545621  39     3   2   2  0.00000
   7   1.593500  -0.920008   4.537750   !    4.896614  40     4   2   2  0.00000
   7  -1.593500  -0.920008   4.537750   !    4.896614  41     4   2   2  0.00000
   7   0.000000   1.840015   4.537750   !    4.896614  42     4   2   2  0.00000
   7   4.780500  -0.920008  -0.648250   !    4.911194  43     4   2   2  0.00000
   7   3.187000  -3.680031  -0.648250   !    4.911194  44     4   2   2  0.00000
   7  -3.187000  -3.680031  -0.648250   !    4.911194  45     4   2   2  0.00000
   7   1.593500   4.600038  -0.648250   !    4.911194  46     4   2   2  0.00000
   7  -1.593500   4.600038  -0.648250   !    4.911194  47     4   2   2  0.00000
   7  -4.780500  -0.920008  -0.648250   !    4.911194  48     4   2   2  0.00000
  31   0.000000   0.000000   5.186000   !    5.186000  49     1   1   1  0.00000
  31   0.000000   0.000000  -5.186000   !    5.186000  50     1   1   1  0.00000
  31   3.187000  -3.680031  -2.593000   !    5.515727  51     2   1   1  0.00000
  31   4.780500  -0.920008   2.593000   !    5.515727  52     2   1   1  0.00000
  31   3.187000  -3.680031   2.593000   !    5.515727  53     2   1   1  0.00000
  31   4.780500  -0.920008  -2.593000   !    5.515727  54     2   1   1  0.00000
  31  -3.187000  -3.680031  -2.593000   !    5.515727  55     2   1   1  0.00000
  31   1.593500   4.600038  -2.593000   !    5.515727  56     2   1   1  0.00000
  31   1.593500   4.600038   2.593000   !    5.515727  57     2   1   1  0.00000
  31  -3.187000  -3.680031   2.593000   !    5.515727  58     2   1   1  0.00000
  31  -4.780500  -0.920008   2.593000   !    5.515727  59     2   1   1  0.00000
  31  -4.780500  -0.920008  -2.593000   !    5.515727  60     2   1   1  0.00000
  31  -1.593500   4.600038  -2.593000   !    5.515727  61     2   1   1  0.00000
  31  -1.593500   4.600038   2.593000   !    5.515727  62     2   1   1  0.00000
  31   0.000000  -5.520046   0.000000   !    5.520046  63     1   1   1  0.00000
  31  -4.780500   2.760023   0.000000   !    5.520046  64     1   1   1  0.00000
  31   4.780500  -2.760023   0.000000   !    5.520046  65     1   1   1  0.00000
  31  -4.780500  -2.760023   0.000000   !    5.520046  66     1   1   1  0.00000
  31   0.000000   5.520046   0.000000   !    5.520046  67     1   1   1  0.00000
  31   4.780500   2.760023   0.000000   !    5.520046  68     1   1   1  0.00000
   7   0.000000  -3.680031   4.537750   !    5.842414  69     4   2   2  0.00000
   7   3.187000   1.840015   4.537750   !    5.842414  70     4   2   2  0.00000
   7  -3.187000   1.840015   4.537750   !    5.842414  71     4   2   2  0.00000
   7   4.780500  -2.760023   1.944750   !    5.852603  72     3   2   2  0.00000
   7  -4.780500   2.760023   1.944750   !    5.852603  73     3   2   2  0.00000
   7  -4.780500  -2.760023   1.944750   !    5.852603  74     3   2   2  0.00000
   7   0.000000   5.520046   1.944750   !    5.852603  75     3   2   2  0.00000
   7   0.000000  -5.520046   1.944750   !    5.852603  76     3   2   2  0.00000
   7   4.780500   2.760023   1.944750   !    5.852603  77     3   2   2  0.00000
  31   1.593500   2.760023  -5.186000   !    6.087000  78     1   1   1  0.00000
  31  -3.187000   0.000000   5.186000   !    6.087000  79     1   1   1  0.00000
  31   3.187000   0.000000  -5.186000   !    6.087000  80     1   1   1  0.00000
  31  -1.593500  -2.760023   5.186000   !    6.087000  81     1   1   1  0.00000
  31   1.593500  -2.760023  -5.186000   !    6.087000  82     1   1   1  0.00000
  31  -1.593500   2.760023   5.186000   !    6.087000  83     1   1   1  0.00000
  31  -1.593500   2.760023  -5.186000   !    6.087000  84     1   1   1  0.00000
  31   1.593500   2.760023   5.186000   !    6.087000  85     1   1   1  0.00000
  31  -3.187000   0.000000  -5.186000   !    6.087000  86     1   1   1  0.00000
  31  -1.593500  -2.760023  -5.186000   !    6.087000  87     1   1   1  0.00000
  31   1.593500  -2.760023   5.186000   !    6.087000  88     1   1   1  0.00000
  31   3.187000   0.000000   5.186000   !    6.087000  89     1   1   1  0.00000

 ipr   iapot
   0     1
   1     1
   2     2

 ia ib Za Zb   Angle(a,O,b)
  2  3  7  7      109.408
  2  4  7  7      109.408
  2  5  7  7      109.408
  3  4  7  7      109.535
  3  5  7  7      109.535
  4  5  7  7      109.535

 Cluster charge =    0.00000  Vsphere =    0.00000 eV


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

  Absorbing atom basis :

  Dipole-dipole matrix shape :

     1  0  0
     0  1  0
     0  0  2

 ldip = ( 0 1 1)

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

  Rsort =    3.000 A
  nx = 17
  natome =   3, igrpt =  16, Cluster_comp = T, Cluster_mag = F

 ia   Z  it  igr ipr iap     posx      posy      posz   igrpt PtGrName  Atom_comp  Atom_mag
  1  31   1    1   1   1   0.00000   0.00000   0.00000   16      3         T         F
  2   7   2    3   2   2   0.00000   0.00000   1.94475   16      3         T         F
  3   7   2    4   2   5   0.00000   1.84002  -0.64825    1      1         T         F

 Atom rotation matrices :

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

 Atom  ia_eq  is_eq
   1      1  1
   2      2  1
   3      5  1   3 50   4 49

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

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

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

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

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

 Useful representation number  1 :

   Number of the corresponding representation : 1

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

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

 Useful representation number  2 :

   Number of the corresponding representation : 2

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

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

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

 npr =   615, npoint =   749, npso =   749
 natome =   3

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

 Vrop =    -21.807 eV

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

 ipr    Rn     Rnorm     Dab     Rdem     Rayop     Rv0     Rmtsd     Rmtg    nrmtg
  1  1.07551  1.36069  1.94475  0.97237  1.13449  1.94475  1.13449  1.13449    480
  2  0.86924  1.09972  1.94475  0.97237  1.00904  1.94475  1.00904  1.00904    474

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

   Z   charge   ch_ion    Vmft   Ionic radius
  31   31.139    2.744  -21.807    0.620
   7    6.861   -2.744  -21.807    1.460

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

  ia     Z    n  l    E_core   n  l     E_val   zero at infinity
  1     31    3  1    -98.633  3  2    -21.317
  2      7    1  0   -384.714  2  0    -24.408
  3      7    1  0   -384.712  2  0    -24.404

 Starting energy =  -30.408 eV,    zero at  -4.00 eV

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

 Number of valence electrons =   29.460
 Number of core electrons    =   25.997
 Total                       =   55.457
 Charge from outer sphere    =    1.776
 Sum of atomic number        =   59
 Initial charge              =    0.000
 Cluster charge              =    3.543

 ia   Z     ch_val    ch_core   ch_total     ch_out   Atom charge
  1  31     11.480     17.997     29.477      0.113      1.523
  2   7      4.495      2.000      6.495      0.414      0.505
  3   7      4.495      2.000      6.495      0.416      0.505

chg_level for neutral absorber= 0.205

chg_level for excited absorber= 0.613

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

     VmoyF =   -15.602 eV,      Vmoyc =    -6.051 eV

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

 Sum of atomic numbers =   59, Reference charge =    55.457

 Cycle  1,   Fermi energy =  -8.622 eV,  Cluster Energy_KS =   -436.979 eV
         Popul val absorb =   0.406

  At the Fermi level :

             ia   Z   Energy_KS      Charge  pop_orb_val(l)   l    Radius
              1  31    -202.282       1.961       0.404       1   1.13449
              2   7     -58.708       0.396       2.535       1   1.00904
              3   7     -58.663       0.395       2.534       1   1.00904

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

 Cluster energy:   -49927.899 eV

  ia    Energ_atom      Energ_KS   delta_En_coeur   Fonc_exc     Fonc_coul      Vxc_int
   1    -44424.997      -202.282         0.000     -1948.765     44854.420     -2580.471
   2     -1375.705       -58.708         0.000      -170.326      1370.838      -224.167
   3     -1375.732       -58.663         0.000      -170.331      1370.912      -224.173

 Sum    -49927.899      -436.979         0.000     -2630.082     50337.995     -3477.157

 E_cut =   -8.62213 eV

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

 Index of the absorbing atom, iaabs =  1

 Point group : 3m       (C3v  )

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

 Point group used : 3        (C3   )

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

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

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

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

 Transformation Crystal Bases - Bases R1 :
     6.02256 -3.01128  0.00000
     0.00000  5.21569  0.00000
     0.00000  0.00000  9.80012

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

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

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

 Transformation Crystal Bases - Bases R2 :
     6.02256 -3.01128  0.00000
     0.00000  5.21569  0.00000
     0.00000  0.00000  9.80012

 Inverse matrix :
     0.16604  0.09586  0.00000
     0.00000  0.19173  0.00000
     0.00000  0.00000  0.10204

 Atom positions in order, in the internal R2 bases
   Z      posx       posy       posz          dista    ia   igr ity ipr  chargat
  31   0.000000   0.000000   0.000000   !    0.000000   1     1   0   0  0.00000
   7   0.000000   0.000000   1.944750   !    1.944750   2     3   2   2  0.00000
   7   1.593500  -0.920008  -0.648250   !    1.950868   3     4   2   2  0.00000
   7  -1.593500  -0.920008  -0.648250   !    1.950868   4     4   2   2  0.00000
   7   0.000000   1.840015  -0.648250   !    1.950868   5     4   2   2  0.00000
  31   1.593500  -0.920008   2.593000   !    3.179513   6     2   1   1  0.00000
  31   1.593500  -0.920008  -2.593000   !    3.179513   7     2   1   1  0.00000
  31  -1.593500  -0.920008   2.593000   !    3.179513   8     2   1   1  0.00000
  31  -1.593500  -0.920008  -2.593000   !    3.179513   9     2   1   1  0.00000
  31   0.000000   1.840015   2.593000   !    3.179513  10     2   1   1  0.00000
  31   0.000000   1.840015  -2.593000   !    3.179513  11     2   1   1  0.00000
  31  -1.593500  -2.760023   0.000000   !    3.187000  12     1   1   1  0.00000
  31  -3.187000   0.000000   0.000000   !    3.187000  13     1   1   1  0.00000
  31   1.593500  -2.760023   0.000000   !    3.187000  14     1   1   1  0.00000
  31  -1.593500   2.760023   0.000000   !    3.187000  15     1   1   1  0.00000
  31   3.187000   0.000000   0.000000   !    3.187000  16     1   1   1  0.00000
  31   1.593500   2.760023   0.000000   !    3.187000  17     1   1   1  0.00000
   7   0.000000   0.000000  -3.241250   !    3.241250  18     3   2   2  0.00000
   7  -1.593500  -2.760023   1.944750   !    3.733500  19     3   2   2  0.00000
   7  -1.593500   2.760023   1.944750   !    3.733500  20     3   2   2  0.00000
   7  -3.187000   0.000000   1.944750   !    3.733500  21     3   2   2  0.00000
   7   3.187000   0.000000   1.944750   !    3.733500  22     3   2   2  0.00000
   7   1.593500  -2.760023   1.944750   !    3.733500  23     3   2   2  0.00000
   7   1.593500   2.760023   1.944750   !    3.733500  24     3   2   2  0.00000
   7   0.000000  -3.680031  -0.648250   !    3.736690  25     4   2   2  0.00000
   7   3.187000   1.840015  -0.648250   !    3.736690  26     4   2   2  0.00000
   7  -3.187000   1.840015  -0.648250   !    3.736690  27     4   2   2  0.00000
  31   3.187000   1.840015   2.593000   !    4.501808  28     2   1   1  0.00000
  31   3.187000   1.840015  -2.593000   !    4.501808  29     2   1   1  0.00000
  31   0.000000  -3.680031   2.593000   !    4.501808  30     2   1   1  0.00000
  31   0.000000  -3.680031  -2.593000   !    4.501808  31     2   1   1  0.00000
  31  -3.187000   1.840015   2.593000   !    4.501808  32     2   1   1  0.00000
  31  -3.187000   1.840015  -2.593000   !    4.501808  33     2   1   1  0.00000
   7  -1.593500  -2.760023  -3.241250   !    4.545621  34     3   2   2  0.00000
   7   1.593500  -2.760023  -3.241250   !    4.545621  35     3   2   2  0.00000
   7  -3.187000   0.000000  -3.241250   !    4.545621  36     3   2   2  0.00000
   7   1.593500   2.760023  -3.241250   !    4.545621  37     3   2   2  0.00000
   7   3.187000   0.000000  -3.241250   !    4.545621  38     3   2   2  0.00000
   7  -1.593500   2.760023  -3.241250   !    4.545621  39     3   2   2  0.00000
   7   1.593500  -0.920008   4.537750   !    4.896614  40     4   2   2  0.00000
   7  -1.593500  -0.920008   4.537750   !    4.896614  41     4   2   2  0.00000
   7   0.000000   1.840015   4.537750   !    4.896614  42     4   2   2  0.00000
   7   4.780500  -0.920008  -0.648250   !    4.911194  43     4   2   2  0.00000
   7   3.187000  -3.680031  -0.648250   !    4.911194  44     4   2   2  0.00000
   7  -3.187000  -3.680031  -0.648250   !    4.911194  45     4   2   2  0.00000
   7   1.593500   4.600038  -0.648250   !    4.911194  46     4   2   2  0.00000
   7  -1.593500   4.600038  -0.648250   !    4.911194  47     4   2   2  0.00000
   7  -4.780500  -0.920008  -0.648250   !    4.911194  48     4   2   2  0.00000
  31   0.000000   0.000000   5.186000   !    5.186000  49     1   1   1  0.00000
  31   0.000000   0.000000  -5.186000   !    5.186000  50     1   1   1  0.00000
  31   3.187000  -3.680031  -2.593000   !    5.515727  51     2   1   1  0.00000
  31   4.780500  -0.920008   2.593000   !    5.515727  52     2   1   1  0.00000
  31   3.187000  -3.680031   2.593000   !    5.515727  53     2   1   1  0.00000
  31   4.780500  -0.920008  -2.593000   !    5.515727  54     2   1   1  0.00000
  31  -3.187000  -3.680031  -2.593000   !    5.515727  55     2   1   1  0.00000
  31   1.593500   4.600038  -2.593000   !    5.515727  56     2   1   1  0.00000
  31   1.593500   4.600038   2.593000   !    5.515727  57     2   1   1  0.00000
  31  -3.187000  -3.680031   2.593000   !    5.515727  58     2   1   1  0.00000
  31  -4.780500  -0.920008   2.593000   !    5.515727  59     2   1   1  0.00000
  31  -4.780500  -0.920008  -2.593000   !    5.515727  60     2   1   1  0.00000
  31  -1.593500   4.600038  -2.593000   !    5.515727  61     2   1   1  0.00000
  31  -1.593500   4.600038   2.593000   !    5.515727  62     2   1   1  0.00000
  31   0.000000  -5.520046   0.000000   !    5.520046  63     1   1   1  0.00000
  31  -4.780500   2.760023   0.000000   !    5.520046  64     1   1   1  0.00000
  31   4.780500  -2.760023   0.000000   !    5.520046  65     1   1   1  0.00000
  31  -4.780500  -2.760023   0.000000   !    5.520046  66     1   1   1  0.00000
  31   0.000000   5.520046   0.000000   !    5.520046  67     1   1   1  0.00000
  31   4.780500   2.760023   0.000000   !    5.520046  68     1   1   1  0.00000
   7   0.000000  -3.680031   4.537750   !    5.842414  69     4   2   2  0.00000
   7   3.187000   1.840015   4.537750   !    5.842414  70     4   2   2  0.00000
   7  -3.187000   1.840015   4.537750   !    5.842414  71     4   2   2  0.00000
   7   4.780500  -2.760023   1.944750   !    5.852603  72     3   2   2  0.00000
   7  -4.780500   2.760023   1.944750   !    5.852603  73     3   2   2  0.00000
   7  -4.780500  -2.760023   1.944750   !    5.852603  74     3   2   2  0.00000
   7   0.000000   5.520046   1.944750   !    5.852603  75     3   2   2  0.00000
   7   0.000000  -5.520046   1.944750   !    5.852603  76     3   2   2  0.00000
   7   4.780500   2.760023   1.944750   !    5.852603  77     3   2   2  0.00000
  31   1.593500   2.760023  -5.186000   !    6.087000  78     1   1   1  0.00000
  31  -3.187000   0.000000   5.186000   !    6.087000  79     1   1   1  0.00000
  31   3.187000   0.000000  -5.186000   !    6.087000  80     1   1   1  0.00000
  31  -1.593500  -2.760023   5.186000   !    6.087000  81     1   1   1  0.00000
  31   1.593500  -2.760023  -5.186000   !    6.087000  82     1   1   1  0.00000
  31  -1.593500   2.760023   5.186000   !    6.087000  83     1   1   1  0.00000
  31  -1.593500   2.760023  -5.186000   !    6.087000  84     1   1   1  0.00000
  31   1.593500   2.760023   5.186000   !    6.087000  85     1   1   1  0.00000
  31  -3.187000   0.000000  -5.186000   !    6.087000  86     1   1   1  0.00000
  31  -1.593500  -2.760023  -5.186000   !    6.087000  87     1   1   1  0.00000
  31   1.593500  -2.760023   5.186000   !    6.087000  88     1   1   1  0.00000
  31   3.187000   0.000000   5.186000   !    6.087000  89     1   1   1  0.00000

 ipr   iapot
   0     1
   1     1
   2     2

 ia ib Za Zb   Angle(a,O,b)
  2  3  7  7      109.408
  2  4  7  7      109.408
  2  5  7  7      109.408
  3  4  7  7      109.535
  3  5  7  7      109.535
  4  5  7  7      109.535

 Cluster charge =    0.00000  Vsphere =    0.00000 eV


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

  Absorbing atom basis :

  Dipole-dipole matrix shape :

     1  0  0
     0  1  0
     0  0  2

 ldip = ( 0 1 1)

 Absorption before the edge :
 Site  Z      fpp (per atom)
   1  31  4.90746E-01
   2   7  1.04367E-02

 Total :  1.08070E+02 nbr. of electron

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

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

  1  1  0    22.040     1.594     0.000   0.000  90.000   0.09586 0.00000  -0.06231   0.09586 0.00000   0.06231
                                                         -0.09586 0.00000  -0.06231  -0.09586 0.00000   0.06231
                                                          0.00000 0.00000   0.09458   0.00000 0.00000   0.09458


  (h,k,l)  exp(i*Q.R_ia) (ia = 1,natomsym)
  1  1  0   1.00000E+00  0.00000E+00   1.00000E+00 -2.44921E-16

 Value of the structure factors per atom site :

 Site =  1, Z = 31

  (h,k,l)      f0              fp          fpp          Ph = Sum(exp(iQR))          Ph*f0*(eps_e.eps_s)     Ph*(fp+i*fpp)*(eps_e.eps_s)
  1  1  0  2.10421E+01    0.00000E+00  0.00000E+00    2.00000E+00 -2.44921E-16    4.20841E+01 -5.15365E-15    0.00000E+00  0.00000E+00

 Site =  2, Z =  7

  (h,k,l)      f0              fp          fpp          Ph = Sum(exp(iQR))          Ph*f0*(eps_e.eps_s)     Ph*(fp+i*fpp)*(eps_e.eps_s)
  1  1  0  3.07645E+00    1.60230E-02  1.04067E-02    2.00000E+00 -2.44921E-16    6.15289E+00 -7.53487E-16    3.20461E-02  2.08135E-02

  (h,k,l)   Total Structure factor
  1  1  0  4.82691E+01    2.08135E-02

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

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

         ple            voe           pls            vos        type      weight_d weight_q

  1.00000  0.00000   0.00000   1.00000  0.00000   0.00000   xanes rectil  0.66667  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

  0.00000  0.00000   0.00000   0.00000  0.00000   0.00000   xanes rectil  0.33333  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

  0.86603  0.00000   0.00000   0.86603  0.00000   0.00000   dafs rectil 
 -0.50000  0.00000   0.00000  -0.50000  0.00000   0.00000
  0.00000  0.00000   0.00000   0.00000  0.00000   0.00000

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

  Rsort =    3.000 A
  nx = 17
  natome =   3, igrpt =  16, Cluster_comp = T, Cluster_mag = F

 ia   Z  it  igr ipr iap     posx      posy      posz   igrpt PtGrName  Atom_comp  Atom_mag
  1  31   0    1   0   1   0.00000   0.00000   0.00000   16      3         T         F
  2   7   2    3   2   2   0.00000   0.00000   1.94475   16      3         T         F
  3   7   2    4   2   5   0.00000   1.84002  -0.64825    1      1         T         F

 Atom rotation matrices :

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

 Atom  ia_eq  is_eq
   1      1  1
   2      2  1
   3      5  1   3 50   4 49

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

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

 Useful representation number  1 :

   Number of the corresponding representation : 2

   Orbital belonging to the representation :
    1  1

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

 Useful representation number  2 :

   Number of the corresponding representation : 1

   Orbital belonging to the representation :
    1  0

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

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

 npr =   615, npoint =   749, npso =   749
 natome =   3

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

 Vrop =    -22.336 eV

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

 ipr    Rn     Rnorm     Dab     Rdem     Rayop     Rv0     Rmtsd     Rmtg    nrmtg
  0  1.08353  1.38360  1.94475  0.97237  1.16339  1.94475  1.16339  1.16339    481
  2  0.86122  1.09972  1.94475  0.97237  0.97733  1.94475  0.97733  0.97733    472

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

   Z   charge   ch_ion    Vmft   Ionic radius
  31*  29.329    5.297  -22.336    0.620
   7    6.337   -1.975  -22.336    1.460

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

     VmoyF =   -16.001 eV,      Vmoyc =    -6.227 eV

     Epsii = 10070.423 eV,  psi*psi =  0.982

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

 Energ = -15.00000 eV

 Vmoy = -15.80162 eV, Vmftabs = -22.37169 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      6.349E-07 -6.332E-07   -7.045E-04  7.026E-04   -1.530E-04  1.526E-04
  1  0    1  1     -2.061E-04 -2.072E-04    4.530E-03  4.555E-03    5.895E-04  5.926E-04
  2  0    1  1      5.065E-03 -5.059E-03   -1.824E-01  1.822E-01   -4.035E-02  4.030E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2958991669E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2958991669E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3034749653E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.5917983338E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5917983338E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6069499306E-05

 Convertion factor = 148.14804 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10352.000  4.59180E-05  4.60695E-05  4.59685E-05

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.16535E-03  2.65171E-19

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

 Energ = -14.50000 eV

 Vmoy = -15.80411 eV, Vmftabs = -22.38125 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      6.825E-07 -6.805E-07   -7.574E-04  7.551E-04   -1.645E-04  1.640E-04
  1  0    1  1     -2.379E-04 -2.394E-04    5.230E-03  5.263E-03    6.805E-04  6.847E-04
  2  0    1  1      5.439E-03 -5.419E-03   -1.959E-01  1.952E-01   -4.333E-02  4.317E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.5735006629E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5735006629E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5818195134E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.1470013258E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.1470013258E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.1636390267E-05

 Convertion factor = 148.15519 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10352.500  5.14700E-05  5.16364E-05  5.15255E-05

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.42729E-03  2.97247E-19

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

 Energ = -14.00000 eV

 Vmoy = -15.80665 eV, Vmftabs = -22.39020 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      7.406E-07 -7.381E-07   -8.218E-04  8.190E-04   -1.785E-04  1.779E-04
  1  0    1  1     -2.820E-04 -2.841E-04    6.200E-03  6.246E-03    8.066E-04  8.127E-04
  2  0    1  1      6.247E-03 -6.205E-03   -2.250E-01  2.235E-01   -4.976E-02  4.943E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.9866426858E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9866426858E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9963298665E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.9732853717E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9732853717E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9926597330E-05

 Convertion factor = 148.16235 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10353.000  5.97329E-05  5.99266E-05  5.97974E-05

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.81709E-03  3.44983E-19

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

 Energ = -13.50000 eV

 Vmoy = -15.80972 eV, Vmftabs = -22.39865 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      8.151E-07 -8.117E-07   -9.045E-04  9.007E-04   -1.965E-04  1.956E-04
  1  0    1  1     -3.481E-04 -3.514E-04    7.653E-03  7.726E-03    9.956E-04  1.005E-03
  2  0    1  1      7.816E-03 -7.732E-03   -2.815E-01  2.785E-01   -6.226E-02  6.159E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.6234621483E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6234621483E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6353927891E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  7.2469242967E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.2469242967E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.2707855781E-05

 Convertion factor = 148.16950 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10353.500  7.24692E-05  7.27079E-05  7.25488E-05

           r(110)ss_90  i(110)ss_90 
  Ampldafs  3.41793E-03  4.18561E-19

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

 Energ = -13.00000 eV

 Vmoy = -15.81335 eV, Vmftabs = -22.40667 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      9.188E-07 -9.139E-07   -1.020E-03  1.014E-03   -2.215E-04  2.203E-04
  1  0    1  1     -4.605E-04 -4.667E-04    1.012E-02  1.026E-02    1.317E-03  1.335E-03
  2  0    1  1      1.115E-02 -1.096E-02   -4.016E-01  3.947E-01   -8.883E-02  8.729E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.6751374524E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6751374524E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6907061972E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.3502749049E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.3502749049E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.3814123945E-05

 Convertion factor = 148.17666 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10354.000  9.35027E-05  9.38141E-05  9.36065E-05

           r(110)ss_90  i(110)ss_90 
  Ampldafs  4.41016E-03  5.40071E-19

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

 Energ = -12.50000 eV

 Vmoy = -15.81796 eV, Vmftabs = -22.41432 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.091E-06 -1.081E-06   -1.210E-03  1.200E-03   -2.629E-04  2.606E-04
  1  0    1  1     -7.059E-04 -7.221E-04    1.552E-02  1.587E-02    2.019E-03  2.065E-03
  2  0    1  1      2.075E-02 -2.007E-02   -7.474E-01  7.228E-01   -1.653E-01  1.599E-01

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.6253433652E-05  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6253433652E-05  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.6493056380E-05

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3250686730E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3250686730E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3298611276E-04

 Convertion factor = 148.18381 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10354.500  1.32507E-04  1.32986E-04  1.32667E-04

           r(110)ss_90  i(110)ss_90 
  Ampldafs  6.25013E-03  7.65395E-19

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

 Energ = -12.00000 eV

 Vmoy = -15.82372 eV, Vmftabs = -22.42165 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol          monopole                 dipole               quadrupole         iseuil = 1
  0  0    1  1      1.595E-06 -1.548E-06   -1.770E-03  1.718E-03   -3.844E-04  3.732E-04
  1  0    1  1     -1.914E-03 -2.085E-03    4.206E-02  4.583E-02    5.471E-03  5.961E-03
  2  0    1  1      1.100E-01 -9.573E-02   -3.963E+00  3.447E+00   -8.764E-01  7.625E-01

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1077624398E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1077624398E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1106173842E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.2155248796E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2155248796E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2212347685E-04

 Convertion factor = 148.19097 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10355.000  2.21552E-04  2.22123E-04  2.21743E-04

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.04508E-02  1.27981E-18

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

 Energ = -11.50000 eV

 Vmoy = -15.83061 eV, Vmftabs = -22.42665 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.963E-06  -2.178E-03  -4.732E-04
  1  0    1  1     1.798E-03  -3.953E-02  -5.142E-03
  2  0    1  1    -6.259E-02   2.254E+00   4.985E-01

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.9354273028E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9354273028E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9324395567E-04

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.8708546057E-04  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8708546057E-04  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8648791135E-04

 Convertion factor = 148.19813 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10355.500  3.87085E-04  3.86488E-04  3.86886E-04

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.82600E-02  2.23613E-18

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

 Energ = -11.00000 eV

 Vmoy = -15.83882 eV, Vmftabs = -22.42746 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.608E-06  -1.784E-03  -3.876E-04
  1  0    1  1     9.102E-04  -2.000E-02  -2.602E-03
  2  0    1  1    -1.849E-02   6.658E-01   1.473E-01

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.2254143438E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2254143438E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2065961720E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.4508286875E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.4508286875E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.4131923439E-02

 Convertion factor = 148.20528 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10356.000  2.45083E-02  2.41319E-02  2.43828E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.15618E+00  1.41587E-16

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

 Energ = -10.50000 eV

 Vmoy = -15.84778 eV, Vmftabs = -22.42824 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.477E-06  -1.639E-03  -3.560E-04
  1  0    1  1     6.491E-04  -1.426E-02  -1.855E-03
  2  0    1  1    -9.723E-03   3.501E-01   7.743E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.9834234729E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9834234729E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.0691961260E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.9668469458E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.9668469458E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0138392252E-01

 Convertion factor = 148.21244 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10356.500  9.96685E-02  1.01384E-01  1.00240E-01

           r(110)ss_90  i(110)ss_90 
  Ampldafs  4.70211E+00  5.75823E-16

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

 Energ = -10.00000 eV

 Vmoy = -15.85679 eV, Vmftabs = -22.42900 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.411E-06  -1.566E-03  -3.401E-04
  1  0    1  1     5.195E-04  -1.142E-02  -1.485E-03
  2  0    1  1    -6.225E-03   2.241E-01   4.957E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.0836418657E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0836418657E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1085746154E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.1672837314E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1672837314E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2171492307E-02

 Convertion factor = 148.21959 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10357.000  4.16728E-02  4.21715E-02  4.18391E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.96611E+00  2.40772E-16

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

 Energ =  -9.50000 eV

 Vmoy = -15.86775 eV, Vmftabs = -22.42973 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.375E-06  -1.526E-03  -3.314E-04
  1  0    1  1     4.407E-04  -9.684E-03  -1.260E-03
  2  0    1  1    -4.409E-03   1.587E-01   3.511E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.9516321400E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9516321400E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9710174479E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.9032642799E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9032642799E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9420348958E-02

 Convertion factor = 148.22675 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10357.500  3.90326E-02  3.94203E-02  3.91619E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.84164E+00  2.25528E-16

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

 Energ =  -9.00000 eV

 Vmoy = -15.88043 eV, Vmftabs = -22.43044 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.357E-06  -1.506E-03  -3.271E-04
  1  0    1  1     3.874E-04  -8.513E-03  -1.107E-03
  2  0    1  1    -3.326E-03   1.197E-01   2.648E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.9043277998E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9043277998E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9163941565E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.8086555996E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8086555996E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8327883131E-02

 Convertion factor = 148.23390 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10358.000  3.80866E-02  3.83279E-02  3.81670E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.79709E+00  2.20073E-16

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

 Energ =  -8.50000 eV

 Vmoy = -15.89404 eV, Vmftabs = -22.43114 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.351E-06  -1.499E-03  -3.256E-04
  1  0    1  1     3.489E-04  -7.667E-03  -9.971E-04
  2  0    1  1    -2.619E-03   9.429E-02   2.086E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.2834318589E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.2834318589E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.2905981516E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.5668637177E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5668637177E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5811963032E-02

 Convertion factor = 148.24106 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10358.500  2.56686E-02  2.58120E-02  2.57164E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.21122E+00  1.48326E-16

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

 Energ =  -8.00000 eV

 Vmoy = -15.90917 eV, Vmftabs = -22.43181 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.354E-06  -1.502E-03  -3.263E-04
  1  0    1  1     3.197E-04  -7.025E-03  -9.136E-04
  2  0    1  1    -2.129E-03   7.665E-02   1.695E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  7.5534598899E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.5534598899E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.6040466582E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.5106919780E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5106919780E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5208093316E-02

 Convertion factor = 148.24821 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10359.000  1.51069E-02  1.52081E-02  1.51406E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  7.12879E-01  8.72996E-17

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

 Energ =  -7.50000 eV

 Vmoy = -15.92444 eV, Vmftabs = -22.43247 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.363E-06  -1.513E-03  -3.286E-04
  1  0    1  1     2.969E-04  -6.523E-03  -8.483E-04
  2  0    1  1    -1.774E-03   6.385E-02   1.412E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.0051215126E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0051215126E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.0371998233E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0010243025E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0010243025E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0074399647E-02

 Convertion factor = 148.25537 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10359.500  1.00102E-02  1.00744E-02  1.00316E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  4.72395E-01  5.78498E-17

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

 Energ =  -7.00000 eV

 Vmoy = -15.93940 eV, Vmftabs = -22.43312 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.378E-06  -1.530E-03  -3.323E-04
  1  0    1  1     2.786E-04  -6.120E-03  -7.959E-04
  2  0    1  1    -1.507E-03   5.424E-02   1.200E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.8107446564E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.8107446564E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.8304399892E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  7.6214893128E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.6214893128E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.6608799784E-03

 Convertion factor = 148.26252 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10360.000  7.62149E-03  7.66088E-03  7.63462E-03

           r(110)ss_90  i(110)ss_90 
  Ampldafs  3.59684E-01  4.40472E-17

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

 Energ =  -6.50000 eV

 Vmoy = -15.95341 eV, Vmftabs = -22.43281 eV

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

 iapr =  1, Z = 31, lmax = 2

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.399E-06  -1.552E-03  -3.371E-04
  1  0    1  1     2.636E-04  -5.790E-03  -7.529E-04
  2  0    1  1    -1.300E-03   4.681E-02   1.035E-02

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.2048808003E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2048808003E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2170562709E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.4097616006E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.4097616006E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.4341125418E-03

 Convertion factor = 148.26968 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10360.500  6.40976E-03  6.43411E-03  6.41788E-03

           r(110)ss_90  i(110)ss_90 
  Ampldafs  3.02513E-01  3.70460E-17

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

 Energ =  -6.00000 eV

 Vmoy = -15.96618 eV, Vmftabs = -22.42589 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.423E-06  -1.579E-03  -3.430E-04
  1  0    1  1     2.511E-04  -5.515E-03  -7.172E-04
  2  0    1  1    -1.137E-03   4.093E-02   9.053E-03
  3  0    1  1     9.297E-06  -4.421E-04  -1.259E-04

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.8609199952E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8609199952E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8677440866E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.7218399903E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7218399903E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.7354881733E-03

 Convertion factor = 148.27684 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10361.000  5.72184E-03  5.73549E-03  5.72639E-03

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.70059E-01  3.30716E-17

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

 Energ =  -5.50000 eV

 Vmoy = -15.97695 eV, Vmftabs = -22.41785 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.451E-06  -1.610E-03  -3.497E-04
  1  0    1  1     2.405E-04  -5.283E-03  -6.870E-04
  2  0    1  1    -1.005E-03   3.619E-02   8.004E-03
  3  0    1  1     8.194E-06  -3.897E-04  -1.110E-04

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.6901774079E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6901774079E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6946193568E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.3803548159E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3803548159E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.3892387136E-03

 Convertion factor = 148.28399 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10361.500  5.38035E-03  5.38924E-03  5.38332E-03

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.53954E-01  3.10994E-17

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

 Energ =  -5.00000 eV

 Vmoy = -15.98602 eV, Vmftabs = -22.40997 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.483E-06  -1.645E-03  -3.574E-04
  1  0    1  1     2.315E-04  -5.085E-03  -6.611E-04
  2  0    1  1    -8.972E-04   3.229E-02   7.142E-03
  3  0    1  1     7.303E-06  -3.473E-04  -9.890E-05

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.6185286902E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6185286902E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6217273703E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.2370573804E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2370573804E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.2434547407E-03

 Convertion factor = 148.29115 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10362.000  5.23706E-03  5.24345E-03  5.23919E-03

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.47202E-01  3.02726E-17

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

 Energ =  -4.50000 eV

 Vmoy = -15.99359 eV, Vmftabs = -22.40223 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.518E-06  -1.685E-03  -3.659E-04
  1  0    1  1     2.237E-04  -4.914E-03  -6.389E-04
  2  0    1  1    -8.071E-04   2.905E-02   6.425E-03
  3  0    1  1     6.572E-06  -3.125E-04  -8.899E-05

 iapr =  2, Z =  7, lmax = 2

 iapr =  3, Z =  7, lmax = 2

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.6325262471E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6325262471E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6353056671E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.2650524943E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.2650524943E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.2706113342E-03

 Convertion factor = 148.29830 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10362.500  5.26505E-03  5.27061E-03  5.26691E-03

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.48536E-01  3.04359E-17

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

 Energ =  -4.00000 eV

 Vmoy = -15.99968 eV, Vmftabs = -22.39463 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.557E-06  -1.728E-03  -3.753E-04
  1  0    1  1     2.169E-04  -4.765E-03  -6.195E-04
  2  0    1  1    -7.312E-04   2.632E-02   5.821E-03
  3  0    1  1     5.962E-06  -2.835E-04  -8.073E-05

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.7530507645E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7530507645E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.7559641530E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.5061015290E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.5061015290E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.5119283059E-03

 Convertion factor = 148.30546 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10363.000  5.50610E-03  5.51193E-03  5.50804E-03

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.59927E-01  3.18308E-17

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

 Energ =  -3.50000 eV

 Vmoy = -16.00402 eV, Vmftabs = -22.38717 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.600E-06  -1.775E-03  -3.855E-04
  1  0    1  1     2.110E-04  -4.634E-03  -6.025E-04
  2  0    1  1    -6.666E-04   2.399E-02   5.306E-03
  3  0    1  1     5.448E-06  -2.591E-04  -7.377E-05

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.9851174594E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9851174594E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9886261299E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.9702349187E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.9702349187E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9772522598E-03

 Convertion factor = 148.31261 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10363.500  5.97023E-03  5.97725E-03  5.97257E-03

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.81851E-01  3.45157E-17

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

 Energ =  -3.00000 eV

 Vmoy = -16.00679 eV, Vmftabs = -22.37983 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.646E-06  -1.826E-03  -3.967E-04
  1  0    1  1     2.058E-04  -4.520E-03  -5.876E-04
  2  0    1  1    -6.111E-04   2.199E-02   4.864E-03
  3  0    1  1     5.010E-06  -2.382E-04  -6.784E-05

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.3882400636E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3882400636E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3923837583E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.7764801273E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.7764801273E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.7847675166E-03

 Convertion factor = 148.31977 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10364.000  6.77648E-03  6.78477E-03  6.77924E-03

           r(110)ss_90  i(110)ss_90 
  Ampldafs  3.19929E-01  3.91787E-17

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

 Energ =  -2.50000 eV

 Vmoy = -16.00776 eV, Vmftabs = -22.37260 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.696E-06  -1.882E-03  -4.087E-04
  1  0    1  1     2.012E-04  -4.418E-03  -5.743E-04
  2  0    1  1    -5.629E-04   2.026E-02   4.480E-03
  3  0    1  1     4.633E-06  -2.203E-04  -6.273E-05

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.0370821368E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.0370821368E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.0412258707E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.0741642736E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.0741642736E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.0824517414E-03

 Convertion factor = 148.32692 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10364.500  8.07416E-03  8.08245E-03  8.07693E-03

           r(110)ss_90  i(110)ss_90 
  Ampldafs  3.81213E-01  4.66836E-17

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

 Energ =  -2.00000 eV

 Vmoy = -16.00758 eV, Vmftabs = -22.36550 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.750E-06  -1.942E-03  -4.218E-04
  1  0    1  1     1.971E-04  -4.328E-03  -5.626E-04
  2  0    1  1    -5.209E-04   1.874E-02   4.146E-03
  3  0    1  1     4.306E-06  -2.047E-04  -5.830E-05

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  5.0417005978E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0417005978E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.0439880661E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.0083401196E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.0083401196E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.0087976132E-02

 Convertion factor = 148.33408 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10365.000  1.00834E-02  1.00880E-02  1.00849E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  4.76100E-01  5.83035E-17

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

 Energ =  -1.50000 eV

 Vmoy = -16.00708 eV, Vmftabs = -22.35849 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.809E-06  -2.007E-03  -4.360E-04
  1  0    1  1     1.934E-04  -4.247E-03  -5.521E-04
  2  0    1  1    -4.840E-04   1.741E-02   3.852E-03
  3  0    1  1     4.019E-06  -1.911E-04  -5.441E-05

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  6.5575064970E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.5575064970E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.5539392143E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.3115012994E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.3115012994E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.3107878429E-02

 Convertion factor = 148.34124 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10365.500  1.31150E-02  1.31079E-02  1.31126E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  6.19271E-01  7.58363E-17

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

 Energ =  -1.00000 eV

 Vmoy = -16.00658 eV, Vmftabs = -22.35160 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.873E-06  -2.078E-03  -4.514E-04
  1  0    1  1     1.902E-04  -4.176E-03  -5.428E-04
  2  0    1  1    -4.514E-04   1.624E-02   3.592E-03
  3  0    1  1     3.766E-06  -1.791E-04  -5.099E-05

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  8.7908504819E-03  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.7908504819E-03  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.7718637223E-03

 Crystal Tensor_dd(ke,ks) (Mbarn)
  1.7581700964E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7581700964E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7543727445E-02

 Convertion factor = 148.34839 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10366.000  1.75817E-02  1.75437E-02  1.75690E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  8.30221E-01  1.01669E-16

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

 Energ =  -0.50000 eV

 Vmoy = -16.00607 eV, Vmftabs = -22.34480 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.942E-06  -2.155E-03  -4.682E-04
  1  0    1  1     1.873E-04  -4.112E-03  -5.345E-04
  2  0    1  1    -4.224E-04   1.520E-02   3.361E-03
  3  0    1  1     3.542E-06  -1.684E-04  -4.795E-05

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.1988187310E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.1988187310E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.1922214276E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.3976374620E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3976374620E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3844428551E-02

 Convertion factor = 148.35555 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10366.500  2.39764E-02  2.38444E-02  2.39324E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.13224E+00  1.38654E-16

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

 Energ =   0.00000 eV

 Vmoy = -16.00554 eV, Vmftabs = -22.33809 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.018E-06  -2.240E-03  -4.865E-04
  1  0    1  1     1.847E-04  -4.055E-03  -5.271E-04
  2  0    1  1    -3.965E-04   1.427E-02   3.156E-03
  3  0    1  1     3.342E-06  -1.589E-04  -4.525E-05

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.6384403395E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6384403395E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6223762789E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.2768806790E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2768806790E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2447525577E-02

 Convertion factor = 148.36270 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10367.000  3.27688E-02  3.24475E-02  3.26617E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.54752E+00  1.89510E-16

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

 Energ =   1.00000 eV

 Vmoy = -16.00374 eV, Vmftabs = -22.32728 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.191E-06  -2.431E-03  -5.281E-04
  1  0    1  1     1.803E-04  -3.959E-03  -5.146E-04
  2  0    1  1    -3.525E-04   1.268E-02   2.805E-03
  3  0    1  1     3.002E-06  -1.427E-04  -4.064E-05

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.8826755832E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8826755832E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8375587892E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.7653511664E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7653511664E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.6751175785E-02

 Convertion factor = 148.37701 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10368.000  5.76535E-02  5.67512E-02  5.73527E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.72297E+00  3.33456E-16

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

 Energ =   2.00000 eV

 Vmoy = -16.00128 eV, Vmftabs = -22.31726 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.398E-06  -2.661E-03  -5.779E-04
  1  0    1  1     1.769E-04  -3.883E-03  -5.047E-04
  2  0    1  1    -3.165E-04   1.139E-02   2.519E-03
  3  0    1  1     2.724E-06  -1.295E-04  -3.688E-05

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.2247980131E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2247980131E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.1537262460E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.4495960263E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4495960263E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.3074524919E-02

 Convertion factor = 148.39132 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10369.000  8.44960E-02  8.30745E-02  8.40221E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  3.99112E+00  4.88755E-16

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

 Energ =   3.00000 eV

 Vmoy = -15.99891 eV, Vmftabs = -22.30749 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.648E-06  -2.939E-03  -6.383E-04
  1  0    1  1     1.743E-04  -3.825E-03  -4.971E-04
  2  0    1  1    -2.868E-04   1.032E-02   2.282E-03
  3  0    1  1     2.495E-06  -1.186E-04  -3.377E-05

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.9341039202E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9341039202E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.8699257970E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.8682078404E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.8682078404E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.7398515940E-02

 Convertion factor = 148.40564 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10370.000  9.86821E-02  9.73985E-02  9.82542E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  4.66164E+00  5.70867E-16

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

 Energ =   4.00000 eV

 Vmoy = -15.99710 eV, Vmftabs = -22.29794 eV

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

 iapr =  1, Z = 31, lmax = 3

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.957E-06  -3.281E-03  -7.127E-04
  1  0    1  1     1.723E-04  -3.781E-03  -4.913E-04
  2  0    1  1    -2.620E-04   9.423E-03   2.084E-03
  3  0    1  1     2.302E-06  -1.094E-04  -3.116E-05

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.9206959268E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.9206959268E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.8828684728E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.8413918536E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.8413918536E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.7657369455E-02

 Convertion factor = 148.41995 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10371.000  9.84139E-02  9.76574E-02  9.81617E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  4.64942E+00  5.69371E-16

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

 Energ =   5.00000 eV

 Vmoy = -15.99892 eV, Vmftabs = -22.28861 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     3.348E-06  -3.715E-03  -8.069E-04
  1  0    1  1     1.709E-04  -3.750E-03  -4.873E-04
  2  0    1  1    -2.410E-04   8.669E-03   1.917E-03
  3  0    1  1     2.139E-06  -1.016E-04  -2.895E-05
  4  0    1  1     3.702E-07  -2.161E-05  -7.396E-06

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.5843461711E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5843461711E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.5684408829E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  9.1686923421E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  9.1686923421E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  9.1368817658E-02

 Convertion factor = 148.43426 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10372.000  9.16869E-02  9.13688E-02  9.15809E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  4.33203E+00  5.30503E-16

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

 Energ =   6.00000 eV

 Vmoy = -16.00521 eV, Vmftabs = -22.27947 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     3.857E-06  -4.280E-03  -9.296E-04
  1  0    1  1     1.701E-04  -3.731E-03  -4.848E-04
  2  0    1  1    -2.233E-04   8.028E-03   1.776E-03
  3  0    1  1     1.999E-06  -9.499E-05  -2.706E-05
  4  0    1  1     3.345E-07  -1.953E-05  -6.684E-06

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  4.2158461879E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2158461879E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2125705602E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  8.4316923758E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  8.4316923758E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  8.4251411204E-02

 Convertion factor = 148.44857 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10373.000  8.43169E-02  8.42514E-02  8.42951E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  3.98420E+00  4.87907E-16

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

 Energ =   7.00000 eV

 Vmoy = -16.01453 eV, Vmftabs = -22.27052 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     4.543E-06  -5.040E-03  -1.095E-03
  1  0    1  1     1.697E-04  -3.723E-03  -4.837E-04
  2  0    1  1    -2.080E-04   7.480E-03   1.654E-03
  3  0    1  1     1.879E-06  -8.927E-05  -2.543E-05
  4  0    1  1     3.044E-07  -1.777E-05  -6.082E-06

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.9028741083E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9028741083E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9061338184E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  7.8057482166E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.8057482166E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.8122676369E-02

 Convertion factor = 148.46288 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10374.000  7.80575E-02  7.81227E-02  7.80792E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  3.68878E+00  4.51730E-16

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

 Energ =   8.00000 eV

 Vmoy = -16.02542 eV, Vmftabs = -22.26175 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     5.503E-06  -6.106E-03  -1.326E-03
  1  0    1  1     1.697E-04  -3.723E-03  -4.837E-04
  2  0    1  1    -1.947E-04   7.000E-03   1.548E-03
  3  0    1  1     1.774E-06  -8.428E-05  -2.400E-05
  4  0    1  1     2.787E-07  -1.627E-05  -5.568E-06

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.6577820322E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.6577820322E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.6642999468E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  7.3155640645E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  7.3155640645E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  7.3285998936E-02

 Convertion factor = 148.47719 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10375.000  7.31556E-02  7.32860E-02  7.31991E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  3.45746E+00  4.23403E-16

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

 Energ =   9.00000 eV

 Vmoy = -16.03742 eV, Vmftabs = -22.26342 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     6.945E-06  -7.706E-03  -1.674E-03
  1  0    1  1     1.700E-04  -3.730E-03  -4.845E-04
  2  0    1  1    -1.830E-04   6.578E-03   1.455E-03
  3  0    1  1     1.681E-06  -7.987E-05  -2.275E-05
  4  0    1  1     2.564E-07  -1.497E-05  -5.122E-06

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.4707431838E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4707431838E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.4788530307E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.9414863677E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.9414863677E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.9577060613E-02

 Convertion factor = 148.49150 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10376.000  6.94149E-02  6.95771E-02  6.94689E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  3.28098E+00  4.01791E-16

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

 Energ =  10.00000 eV

 Vmoy = -16.05048 eV, Vmftabs = -22.27025 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     9.353E-06  -1.038E-02  -2.254E-03
  1  0    1  1     1.707E-04  -3.745E-03  -4.864E-04
  2  0    1  1    -1.727E-04   6.208E-03   1.373E-03
  3  0    1  1     1.600E-06  -7.600E-05  -2.165E-05
  4  0    1  1     2.371E-07  -1.384E-05  -4.736E-06

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.3294362227E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3294362227E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3383439287E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.6588724454E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.6588724454E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.6766878574E-02

 Convertion factor = 148.50581 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10377.000  6.65887E-02  6.67669E-02  6.66481E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  3.14771E+00  3.85470E-16

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

 Energ =  11.00000 eV

 Vmoy = -16.06529 eV, Vmftabs = -22.27696 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     1.418E-05  -1.574E-02  -3.418E-03
  1  0    1  1     1.718E-04  -3.767E-03  -4.893E-04
  2  0    1  1    -1.636E-04   5.883E-03   1.301E-03
  3  0    1  1     1.528E-06  -7.258E-05  -2.067E-05
  4  0    1  1     2.203E-07  -1.286E-05  -4.401E-06

 iapr =  2, Z =  7, lmax = 3

 iapr =  3, Z =  7, lmax = 3

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.2220034405E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2220034405E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2314040580E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.4440068810E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.4440068810E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.4628081161E-02

 Convertion factor = 148.52012 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10378.000  6.44401E-02  6.46281E-02  6.45027E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  3.04643E+00  3.73068E-16

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

 Energ =  12.00000 eV

 Vmoy = -16.08197 eV, Vmftabs = -22.28356 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1     2.873E-05  -3.188E-02  -6.925E-03
  1  0    1  1     1.732E-04  -3.797E-03  -4.932E-04
  2  0    1  1    -1.557E-04   5.596E-03   1.238E-03
  3  0    1  1     1.464E-06  -6.956E-05  -1.981E-05
  4  0    1  1     2.056E-07  -1.200E-05  -4.107E-06

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.1406873656E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.1406873656E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.1505946461E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.2813747312E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.2813747312E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.3011892921E-02

 Convertion factor = 148.53443 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10379.000  6.28137E-02  6.30119E-02  6.28798E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.96983E+00  3.63688E-16

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

 Energ =  13.00000 eV

 Vmoy = -16.10129 eV, Vmftabs = -22.29005 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -4.549E-03   5.047E+00   1.096E+00
  1  0    1  1     1.749E-04  -3.834E-03  -4.980E-04
  2  0    1  1    -1.487E-04   5.343E-03   1.182E-03
  3  0    1  1     1.408E-06  -6.687E-05  -1.905E-05
  4  0    1  1     1.927E-07  -1.124E-05  -3.849E-06

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.0721343022E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0721343022E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0827601761E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.1442686043E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.1442686043E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.1655203522E-02

 Convertion factor = 148.54875 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10380.000  6.14427E-02  6.16552E-02  6.15135E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.90529E+00  3.55784E-16

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

 Energ =  14.00000 eV

 Vmoy = -16.12322 eV, Vmftabs = -22.29644 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -2.896E-05   3.213E-02   6.980E-03
  1  0    1  1     1.769E-04  -3.879E-03  -5.038E-04
  2  0    1  1    -1.424E-04   5.118E-03   1.132E-03
  3  0    1  1     1.358E-06  -6.448E-05  -1.837E-05
  4  0    1  1     1.813E-07  -1.058E-05  -3.620E-06

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  3.0106787846E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0106787846E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0224438538E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  6.0213575693E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  6.0213575693E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  6.0448877075E-02

 Convertion factor = 148.56306 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10381.000  6.02136E-02  6.04489E-02  6.02920E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.84745E+00  3.48700E-16

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

 Energ =  15.00000 eV

 Vmoy = -16.14820 eV, Vmftabs = -22.30272 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.468E-05   1.629E-02   3.538E-03
  1  0    1  1     1.793E-04  -3.932E-03  -5.105E-04
  2  0    1  1    -1.369E-04   4.919E-03   1.088E-03
  3  0    1  1     1.313E-06  -6.235E-05  -1.776E-05
  4  0    1  1     1.711E-07  -9.984E-06  -3.418E-06

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.9482212235E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9482212235E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9617335357E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.8964424471E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.8964424471E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.9234670713E-02

 Convertion factor = 148.57737 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10382.000  5.89644E-02  5.92347E-02  5.90545E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.78864E+00  3.41499E-16

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

 Energ =  16.00000 eV

 Vmoy = -16.17542 eV, Vmftabs = -22.30892 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -9.908E-06   1.099E-02   2.388E-03
  1  0    1  1     1.821E-04  -3.991E-03  -5.182E-04
  2  0    1  1    -1.319E-04   4.741E-03   1.049E-03
  3  0    1  1     1.273E-06  -6.044E-05  -1.722E-05
  4  0    1  1     1.621E-07  -9.456E-06  -3.237E-06

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.8762507233E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.8762507233E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8922786017E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.7525014466E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.7525014466E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.7845572033E-02

 Convertion factor = 148.59168 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10383.000  5.75250E-02  5.78456E-02  5.76319E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.72083E+00  3.33195E-16

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

 Energ =  17.00000 eV

 Vmoy = -16.20388 eV, Vmftabs = -22.31502 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -7.526E-06   8.351E-03   1.814E-03
  1  0    1  1     1.851E-04  -4.058E-03  -5.268E-04
  2  0    1  1    -1.275E-04   4.582E-03   1.013E-03
  3  0    1  1     1.237E-06  -5.873E-05  -1.673E-05
  4  0    1  1     1.540E-07  -8.983E-06  -3.075E-06

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.7860758212E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.7860758212E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.8054502935E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.5721516424E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.5721516424E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.6109005870E-02

 Convertion factor = 148.60599 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10384.000  5.57215E-02  5.61090E-02  5.58507E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.63578E+00  3.22779E-16

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

 Energ =  18.00000 eV

 Vmoy = -16.23208 eV, Vmftabs = -22.32180 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -6.103E-06   6.771E-03   1.471E-03
  1  0    1  1     1.885E-04  -4.131E-03  -5.363E-04
  2  0    1  1    -1.235E-04   4.438E-03   9.816E-04
  3  0    1  1     1.204E-06  -5.718E-05  -1.629E-05
  4  0    1  1     1.467E-07  -8.557E-06  -2.929E-06

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.6699604966E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.6699604966E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.6933480569E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.3399209932E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.3399209932E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.3866961137E-02

 Convertion factor = 148.62030 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10385.000  5.33992E-02  5.38670E-02  5.35551E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.52617E+00  3.09357E-16

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

 Energ =  19.00000 eV

 Vmoy = -16.25947 eV, Vmftabs = -22.35155 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -5.158E-06   5.723E-03   1.243E-03
  1  0    1  1     1.920E-04  -4.208E-03  -5.463E-04
  2  0    1  1    -1.198E-04   4.302E-03   9.516E-04
  3  0    1  1     1.174E-06  -5.573E-05  -1.588E-05
  4  0    1  1     1.399E-07  -8.160E-06  -2.793E-06

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.5224884143E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.5224884143E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.5500141015E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  5.0449768286E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  5.0449768286E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  5.1000282029E-02

 Convertion factor = 148.63461 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10386.000  5.04498E-02  5.10003E-02  5.06333E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.38687E+00  2.92298E-16

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

 Energ =  20.00000 eV

 Vmoy = -16.28486 eV, Vmftabs = -22.38090 eV

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

 iapr =  1, Z = 31, lmax = 4

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -4.488E-06   4.979E-03   1.082E-03
  1  0    1  1     1.958E-04  -4.291E-03  -5.570E-04
  2  0    1  1    -1.163E-04   4.177E-03   9.240E-04
  3  0    1  1     1.146E-06  -5.440E-05  -1.550E-05
  4  0    1  1     1.337E-07  -7.797E-06  -2.669E-06

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3463789618E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3463789618E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3771790479E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.6927579237E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6927579237E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.7543580958E-02

 Convertion factor = 148.64892 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10387.000  4.69276E-02  4.75436E-02  4.71329E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.22045E+00  2.71917E-16

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

 Energ =  22.00000 eV

 Vmoy = -16.32607 eV, Vmftabs = -22.43848 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -3.603E-06   3.997E-03   8.683E-04
  1  0    1  1     2.041E-04  -4.473E-03  -5.805E-04
  2  0    1  1    -1.101E-04   3.956E-03   8.751E-04
  3  0    1  1     1.097E-06  -5.207E-05  -1.484E-05
  4  0    1  1     1.228E-07  -7.164E-06  -2.453E-06
  5  0    1  1     2.961E-08  -2.039E-06  -8.102E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.9596555710E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9596555710E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9900266292E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.9193111420E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9193111420E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9800532584E-02

 Convertion factor = 148.67755 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10389.000  3.91931E-02  3.98005E-02  3.93956E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.85483E+00  2.27144E-16

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

 Energ =  24.00000 eV

 Vmoy = -16.34868 eV, Vmftabs = -22.49466 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -3.049E-06   3.382E-03   7.348E-04
  1  0    1  1     2.134E-04  -4.674E-03  -6.066E-04
  2  0    1  1    -1.049E-04   3.766E-03   8.330E-04
  3  0    1  1     1.056E-06  -5.012E-05  -1.428E-05
  4  0    1  1     1.137E-07  -6.630E-06  -2.270E-06
  5  0    1  1     2.643E-08  -1.820E-06  -7.230E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.6533697067E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6533697067E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6730841352E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.3067394133E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.3067394133E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3461682705E-02

 Convertion factor = 148.70617 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10391.000  3.30674E-02  3.34617E-02  3.31988E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.56523E+00  1.91679E-16

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

 Energ =  26.00000 eV

 Vmoy = -16.34521 eV, Vmftabs = -22.54952 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -2.673E-06   2.965E-03   6.441E-04
  1  0    1  1     2.234E-04  -4.893E-03  -6.349E-04
  2  0    1  1    -1.002E-04   3.599E-03   7.962E-04
  3  0    1  1     1.021E-06  -4.846E-05  -1.381E-05
  4  0    1  1     1.059E-07  -6.173E-06  -2.114E-06
  5  0    1  1     2.377E-08  -1.636E-06  -6.501E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5059735121E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5059735121E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5127595938E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.0119470242E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0119470242E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0255191876E-02

 Convertion factor = 148.73479 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10393.000  3.01195E-02  3.02552E-02  3.01647E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.42597E+00  1.74625E-16

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

 Energ =  28.00000 eV

 Vmoy = -16.31360 eV, Vmftabs = -22.60315 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -2.403E-06   2.666E-03   5.790E-04
  1  0    1  1     2.342E-04  -5.129E-03  -6.654E-04
  2  0    1  1    -9.613E-05   3.451E-03   7.634E-04
  3  0    1  1     9.912E-07  -4.703E-05  -1.340E-05
  4  0    1  1     9.910E-08  -5.777E-06  -1.978E-06
  5  0    1  1     2.151E-08  -1.481E-06  -5.884E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.4865707137E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.4865707137E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.4842478343E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  2.9731414274E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.9731414274E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.9684956686E-02

 Convertion factor = 148.76341 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10395.000  2.97314E-02  2.96850E-02  2.97159E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.40787E+00  1.72408E-16

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

 Energ =  30.00000 eV

 Vmoy = -16.25172 eV, Vmftabs = -22.63315 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -2.200E-06   2.441E-03   5.303E-04
  1  0    1  1     2.458E-04  -5.381E-03  -6.981E-04
  2  0    1  1    -9.247E-05   3.319E-03   7.342E-04
  3  0    1  1     9.656E-07  -4.581E-05  -1.305E-05
  4  0    1  1     9.321E-08  -5.433E-06  -1.860E-06
  5  0    1  1     1.960E-08  -1.349E-06  -5.360E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.5356376141E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.5356376141E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.5282906982E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.0712752282E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.0712752282E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.0565813965E-02

 Convertion factor = 148.79203 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10397.000  3.07128E-02  3.05658E-02  3.06638E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.45462E+00  1.78133E-16

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

 Energ =  32.00000 eV

 Vmoy = -16.16605 eV, Vmftabs = -22.63625 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -2.043E-06   2.267E-03   4.925E-04
  1  0    1  1     2.584E-04  -5.655E-03  -7.335E-04
  2  0    1  1    -8.933E-05   3.206E-03   7.092E-04
  3  0    1  1     9.448E-07  -4.482E-05  -1.277E-05
  4  0    1  1     8.822E-08  -5.142E-06  -1.761E-06
  5  0    1  1     1.800E-08  -1.239E-06  -4.922E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.6139947435E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.6139947435E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6041396296E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.2279894869E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.2279894869E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.2082792592E-02

 Convertion factor = 148.82066 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10399.000  3.22799E-02  3.20828E-02  3.22142E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.52913E+00  1.87259E-16

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

 Energ =  34.00000 eV

 Vmoy = -16.06121 eV, Vmftabs = -22.63929 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.918E-06   2.128E-03   4.622E-04
  1  0    1  1     2.721E-04  -5.955E-03  -7.723E-04
  2  0    1  1    -8.661E-05   3.108E-03   6.875E-04
  3  0    1  1     9.275E-07  -4.399E-05  -1.254E-05
  4  0    1  1     8.386E-08  -4.887E-06  -1.674E-06
  5  0    1  1     1.661E-08  -1.143E-06  -4.543E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.7028579533E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7028579533E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.6917663267E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.4057159067E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.4057159067E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.3835326535E-02

 Convertion factor = 148.84928 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10401.000  3.40572E-02  3.38353E-02  3.39832E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.61363E+00  1.97607E-16

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

 Energ =  36.00000 eV

 Vmoy = -15.94430 eV, Vmftabs = -22.64227 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.815E-06   2.014E-03   4.374E-04
  1  0    1  1     2.874E-04  -6.287E-03  -8.153E-04
  2  0    1  1    -8.427E-05   3.024E-03   6.688E-04
  3  0    1  1     9.134E-07  -4.332E-05  -1.234E-05
  4  0    1  1     8.004E-08  -4.664E-06  -1.597E-06
  5  0    1  1     1.541E-08  -1.060E-06  -4.213E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.7950995075E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.7950995075E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.7833871963E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.5901990150E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.5901990150E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.5667743926E-02

 Convertion factor = 148.87790 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10403.000  3.59020E-02  3.56677E-02  3.58239E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.70137E+00  2.08351E-16

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

 Energ =  38.00000 eV

 Vmoy = -15.81354 eV, Vmftabs = -22.64520 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.729E-06   1.919E-03   4.168E-04
  1  0    1  1     3.042E-04  -6.653E-03  -8.626E-04
  2  0    1  1    -8.225E-05   2.951E-03   6.527E-04
  3  0    1  1     9.019E-07  -4.277E-05  -1.219E-05
  4  0    1  1     7.664E-08  -4.465E-06  -1.529E-06
  5  0    1  1     1.435E-08  -9.871E-07  -3.923E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.8879500096E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.8879500096E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.8759642615E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.7759000192E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.7759000192E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.7519285229E-02

 Convertion factor = 148.90652 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10405.000  3.77590E-02  3.75193E-02  3.76791E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.78972E+00  2.19170E-16

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

 Energ =  40.00000 eV

 Vmoy = -15.67809 eV, Vmftabs = -22.64808 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.657E-06   1.838E-03   3.994E-04
  1  0    1  1     3.230E-04  -7.065E-03  -9.159E-04
  2  0    1  1    -8.055E-05   2.889E-03   6.391E-04
  3  0    1  1     8.930E-07  -4.234E-05  -1.207E-05
  4  0    1  1     7.364E-08  -4.290E-06  -1.469E-06
  5  0    1  1     1.341E-08  -9.228E-07  -3.668E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  1.9794674367E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  1.9794674367E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  1.9675095751E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  3.9589348735E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  3.9589348735E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  3.9350191502E-02

 Convertion factor = 148.93514 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10407.000  3.95893E-02  3.93502E-02  3.95096E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.87683E+00  2.29838E-16

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

 Energ =  42.00000 eV

 Vmoy = -15.54075 eV, Vmftabs = -22.62847 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.595E-06   1.769E-03   3.844E-04
  1  0    1  1     3.444E-04  -7.530E-03  -9.760E-04
  2  0    1  1    -7.914E-05   2.838E-03   6.279E-04
  3  0    1  1     8.865E-07  -4.202E-05  -1.198E-05
  4  0    1  1     7.100E-08  -4.135E-06  -1.416E-06
  5  0    1  1     1.259E-08  -8.662E-07  -3.443E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.0659095896E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.0659095896E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.0543333393E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.1318191793E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.1318191793E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.1086666787E-02

 Convertion factor = 148.96377 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10409.000  4.13182E-02  4.10867E-02  4.12410E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  1.95917E+00  2.39921E-16

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

 Energ =  44.00000 eV

 Vmoy = -15.39942 eV, Vmftabs = -22.49339 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.541E-06   1.709E-03   3.713E-04
  1  0    1  1     3.684E-04  -8.054E-03  -1.044E-03
  2  0    1  1    -7.808E-05   2.800E-03   6.193E-04
  3  0    1  1     8.835E-07  -4.188E-05  -1.193E-05
  4  0    1  1     6.891E-08  -4.013E-06  -1.375E-06
  5  0    1  1     1.193E-08  -8.204E-07  -3.261E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.1420367587E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.1420367587E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1312398666E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.2840735173E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.2840735173E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.2624797331E-02

 Convertion factor = 148.99239 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10411.000  4.28407E-02  4.26248E-02  4.27688E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.03175E+00  2.48810E-16

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

 Energ =  46.00000 eV

 Vmoy = -15.25676 eV, Vmftabs = -22.36046 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.493E-06   1.656E-03   3.598E-04
  1  0    1  1     3.958E-04  -8.650E-03  -1.121E-03
  2  0    1  1    -7.731E-05   2.772E-03   6.132E-04
  3  0    1  1     8.835E-07  -4.187E-05  -1.193E-05
  4  0    1  1     6.723E-08  -3.915E-06  -1.341E-06
  5  0    1  1     1.137E-08  -7.820E-07  -3.109E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2038718688E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2038718688E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.1942171730E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.4077437376E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.4077437376E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.3884343460E-02

 Convertion factor = 149.02101 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10413.000  4.40774E-02  4.38843E-02  4.40131E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.09081E+00  2.56042E-16

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

 Energ =  48.00000 eV

 Vmoy = -15.11348 eV, Vmftabs = -22.22957 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.451E-06   1.610E-03   3.496E-04
  1  0    1  1     4.271E-04  -9.334E-03  -1.209E-03
  2  0    1  1    -7.679E-05   2.753E-03   6.089E-04
  3  0    1  1     8.857E-07  -4.197E-05  -1.196E-05
  4  0    1  1     6.582E-08  -3.832E-06  -1.313E-06
  5  0    1  1     1.088E-08  -7.483E-07  -2.975E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2503259286E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2503259286E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2420487281E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.5006518571E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5006518571E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.4840974563E-02

 Convertion factor = 149.04963 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10415.000  4.50065E-02  4.48410E-02  4.49513E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.13529E+00  2.61489E-16

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

 Energ =  50.00000 eV

 Vmoy = -14.96940 eV, Vmftabs = -22.10065 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.413E-06   1.568E-03   3.406E-04
  1  0    1  1     4.632E-04  -1.012E-02  -1.311E-03
  2  0    1  1    -7.646E-05   2.740E-03   6.062E-04
  3  0    1  1     8.897E-07  -4.215E-05  -1.201E-05
  4  0    1  1     6.461E-08  -3.762E-06  -1.289E-06
  5  0    1  1     1.045E-08  -7.183E-07  -2.856E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.2833779258E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.2833779258E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.2765279279E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.5667558516E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.5667558516E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.5530558557E-02

 Convertion factor = 149.07826 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10417.000  4.56676E-02  4.55306E-02  4.56219E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.16707E+00  2.65380E-16

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

 Energ =  52.00000 eV

 Vmoy = -14.82785 eV, Vmftabs = -21.97360 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.380E-06   1.531E-03   3.326E-04
  1  0    1  1     5.054E-04  -1.104E-02  -1.430E-03
  2  0    1  1    -7.630E-05   2.734E-03   6.048E-04
  3  0    1  1     8.953E-07  -4.241E-05  -1.209E-05
  4  0    1  1     6.359E-08  -3.702E-06  -1.268E-06
  5  0    1  1     1.006E-08  -6.916E-07  -2.750E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3068159831E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3068159831E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3012825958E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.6136319661E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6136319661E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6025651917E-02

 Convertion factor = 149.10688 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10419.000  4.61363E-02  4.60257E-02  4.60994E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.18973E+00  2.68156E-16

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

 Energ =  54.00000 eV

 Vmoy = -14.68978 eV, Vmftabs = -21.84835 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.350E-06   1.497E-03   3.253E-04
  1  0    1  1     5.551E-04  -1.212E-02  -1.570E-03
  2  0    1  1    -7.629E-05   2.734E-03   6.047E-04
  3  0    1  1     9.024E-07  -4.274E-05  -1.218E-05
  4  0    1  1     6.273E-08  -3.651E-06  -1.251E-06
  5  0    1  1     9.714E-09  -6.677E-07  -2.655E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3244465589E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3244465589E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3200419148E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.6488931179E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6488931179E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6400838295E-02

 Convertion factor = 149.13550 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10421.000  4.64889E-02  4.64008E-02  4.64596E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.20689E+00  2.70257E-16

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

 Energ =  56.00000 eV

 Vmoy = -14.55426 eV, Vmftabs = -21.71582 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.322E-06   1.467E-03   3.187E-04
  1  0    1  1     6.145E-04  -1.342E-02  -1.738E-03
  2  0    1  1    -7.642E-05   2.738E-03   6.056E-04
  3  0    1  1     9.108E-07  -4.314E-05  -1.230E-05
  4  0    1  1     6.200E-08  -3.608E-06  -1.236E-06
  5  0    1  1     9.402E-09  -6.462E-07  -2.570E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3390207054E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3390207054E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3355591469E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.6780414108E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.6780414108E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6711182939E-02

 Convertion factor = 149.16412 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10423.000  4.67804E-02  4.67112E-02  4.67573E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.22115E+00  2.72004E-16

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

 Energ =  58.00000 eV

 Vmoy = -14.42290 eV, Vmftabs = -21.52498 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.297E-06   1.439E-03   3.126E-04
  1  0    1  1     6.867E-04  -1.499E-02  -1.941E-03
  2  0    1  1    -7.668E-05   2.747E-03   6.076E-04
  3  0    1  1     9.208E-07  -4.360E-05  -1.243E-05
  4  0    1  1     6.148E-08  -3.577E-06  -1.226E-06
  5  0    1  1     9.138E-09  -6.280E-07  -2.497E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3518341773E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3518341773E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3491806190E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.7036683545E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7036683545E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.6983612381E-02

 Convertion factor = 149.19274 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10425.000  4.70367E-02  4.69836E-02  4.70190E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.23375E+00  2.73546E-16

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

 Energ =  60.00000 eV

 Vmoy = -14.29683 eV, Vmftabs = -21.33626 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.274E-06   1.413E-03   3.070E-04
  1  0    1  1     7.761E-04  -1.694E-02  -2.193E-03
  2  0    1  1    -7.707E-05   2.760E-03   6.106E-04
  3  0    1  1     9.322E-07  -4.414E-05  -1.258E-05
  4  0    1  1     6.113E-08  -3.557E-06  -1.219E-06
  5  0    1  1     8.915E-09  -6.125E-07  -2.436E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3635887022E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3635887022E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3616807626E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.7271774045E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7271774045E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.7233615251E-02

 Convertion factor = 149.22137 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10427.000  4.72718E-02  4.72336E-02  4.72591E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.24534E+00  2.74966E-16

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

 Energ =  62.00000 eV

 Vmoy = -14.17586 eV, Vmftabs = -21.14993 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.252E-06   1.389E-03   3.018E-04
  1  0    1  1     8.904E-04  -1.943E-02  -2.516E-03
  2  0    1  1    -7.757E-05   2.778E-03   6.145E-04
  3  0    1  1     9.450E-07  -4.474E-05  -1.275E-05
  4  0    1  1     6.092E-08  -3.544E-06  -1.214E-06
  5  0    1  1     8.720E-09  -5.991E-07  -2.383E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3743251700E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3743251700E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3731793742E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.7486503401E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7486503401E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.7463587484E-02

 Convertion factor = 149.24999 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10429.000  4.74865E-02  4.74636E-02  4.74789E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.25598E+00  2.76268E-16

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

 Energ =  64.00000 eV

 Vmoy = -14.05816 eV, Vmftabs = -20.96591 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.232E-06   1.367E-03   2.970E-04
  1  0    1  1     1.040E-03  -2.269E-02  -2.936E-03
  2  0    1  1    -7.816E-05   2.798E-03   6.190E-04
  3  0    1  1     9.588E-07  -4.539E-05  -1.294E-05
  4  0    1  1     6.082E-08  -3.538E-06  -1.212E-06
  5  0    1  1     8.549E-09  -5.873E-07  -2.336E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3834114962E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3834114962E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3831259693E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.7668229923E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7668229923E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.7662519385E-02

 Convertion factor = 149.27861 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10431.000  4.76682E-02  4.76625E-02  4.76663E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.26504E+00  2.77379E-16

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

 Energ =  66.00000 eV

 Vmoy = -13.94299 eV, Vmftabs = -20.78411 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.214E-06   1.347E-03   2.926E-04
  1  0    1  1     1.244E-03  -2.714E-02  -3.513E-03
  2  0    1  1    -7.882E-05   2.822E-03   6.242E-04
  3  0    1  1     9.736E-07  -4.608E-05  -1.314E-05
  4  0    1  1     6.081E-08  -3.537E-06  -1.212E-06
  5  0    1  1     8.399E-09  -5.769E-07  -2.295E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3898090641E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3898090641E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3905559188E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.7796181282E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7796181282E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.7811118375E-02

 Convertion factor = 149.30723 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10433.000  4.77962E-02  4.78111E-02  4.78012E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.27156E+00  2.78177E-16

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

 Energ =  68.00000 eV

 Vmoy = -13.83142 eV, Vmftabs = -20.60446 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.197E-06   1.328E-03   2.884E-04
  1  0    1  1     1.540E-03  -3.358E-02  -4.346E-03
  2  0    1  1    -7.954E-05   2.847E-03   6.298E-04
  3  0    1  1     9.893E-07  -4.682E-05  -1.335E-05
  4  0    1  1     6.089E-08  -3.541E-06  -1.214E-06
  5  0    1  1     8.266E-09  -5.677E-07  -2.258E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3921262664E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3921262664E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3941413618E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.7842525329E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7842525329E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.7882827237E-02

 Convertion factor = 149.33585 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10435.000  4.78425E-02  4.78828E-02  4.78560E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.27420E+00  2.78500E-16

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

 Energ =  70.00000 eV

 Vmoy = -13.72438 eV, Vmftabs = -20.42687 eV

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

 iapr =  1, Z = 31, lmax = 5

 Radial integral
  l  m  isp isol    monopole    dipole    quadrupole     iseuil = 1
  0  0    1  1    -1.181E-06   1.310E-03   2.845E-04
  1  0    1  1     2.009E-03  -4.381E-02  -5.669E-03
  2  0    1  1    -8.034E-05   2.875E-03   6.360E-04
  3  0    1  1     1.006E-06  -4.760E-05  -1.357E-05
  4  0    1  1     6.107E-08  -3.551E-06  -1.217E-06
  5  0    1  1     8.150E-09  -5.597E-07  -2.226E-07

 iapr =  2, Z =  7, lmax = 4

 iapr =  3, Z =  7, lmax = 4

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

 Threshold  K1

 Tensor_dd(ke,ks), prototypical atom (Mbarn)
  2.3889661927E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  2.3889661927E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  2.3925180416E-02

 Crystal Tensor_dd(ke,ks) (Mbarn)
  4.7779323855E-02  0.0000000000E+00  0.0000000000E+00
  0.0000000000E+00  4.7779323855E-02  0.0000000000E+00
  0.0000000000E+00  0.0000000000E+00  4.7850360832E-02

 Convertion factor = 149.36448 (numb. of electron/Mbarn)

   Total signal

    Energy    (100)        (001)       <xanes>   
 10437.000  4.77793E-02  4.78504E-02  4.78030E-02

           r(110)ss_90  i(110)ss_90 
  Ampldafs  2.27163E+00  2.78185E-16

------------------------------------------------------------------------------------------------------------------------

 Subroutine time (sCPU)
    Lectur =      0.078    Reseau =      0.016    Potent =      0.047
    Ylm    =      0.000    Potex  =      0.063    Sphere =      0.781
    Mat    =      1.844    Tensor =      0.016    Coabs  =      0.031
    Rempli =      1.766    Triang =      0.078
    Total  =      4.734
