 FEFF 9.6.4
 Core hole lifetime set to    10.5000000000000      eV.
 Sn O2 Rietveld results for AL2131 refinement of total
 Calculating potentials ...
    free atom potential and density for atom type    1
    free atom potential and density for atom type    2
    initial state energy
    overlapped potential and density for unique potential    0
    overlapped potential and density for unique potential    1
    overlapped potential and density for unique potential    2
 Calculating potentials ...
muffin tin radii and interstitial parameters
 iph, rnrm(iph)*bohr, rmt(iph)*bohr, folp(iph)
    0  1.49370E+00  1.37869E+00  1.15000E+00
    1  1.07116E+00  9.90887E-01  1.15000E+00
    2  1.48459E+00  1.37518E+00  1.15000E+00
 ecv=   -40.000
 mu_old=     3.767
 Done with module 1: potentials.
 Calculating cross-section and phases...
    absorption cross section
    phase shifts for unique potential    0
    phase shifts for unique potential    1
    phase shifts for unique potential    2
 Done with module 2: cross-section and phases...
 Number of energy points =    83
 Done with module 3: FMS.
 Done with module: MKGTR.
 Preparing plane wave scattering amplitudes...
 Searching for paths...
    Rmax  9.8598  keep and heap limits   0.0000000   0.0000000
    Preparing neighbor table
    Paths found      340   (maxheap, maxscatt       1   1)
 Eliminating path degeneracies...
    Plane wave chi amplitude filter   2.50%
    Unique paths     30,  total paths     196
 Done with module 4: pathfinder.
 Calculating EXAFS parameters...
    Curved wave chi amplitude ratio   4.00%
    Discard feff.dat for paths with cw ratio <   2.67%
    path  cw ratio     deg    nleg  reff
      1     0.1000E+03     2.000     2   2.0491
      2     0.1959E+03     4.000     2   2.0636
      3     0.5001E+02     2.000     2   3.1945
      4     0.3113E+02     4.000     2   3.6011
      5     0.1273E+03     8.000     2   3.7164
      6     0.2564E+02     4.000     2   3.7952
      7     0.3343E+02     8.000     2   4.2438
      8     0.5736E+01     2.000     2   4.6624
      9     0.2891E+02     4.000     2   4.7457
     10     0.2012E+02     8.000     2   4.8138
     11     0.8830E+01     4.000     2   4.9667
     12     0.5118E+01     4.000     2   5.6358
     13     0.5054E+01     4.000     2   5.6518
     14     0.2983E+02     8.000     2   5.7207
     15     0.2747E+02     8.000     2   5.8499
     16     0.7952E+01     8.000     2   5.9624
     17     0.6659E+01     8.000     2   6.1984
     18     0.2951E+01     4.000     2   6.3618
     19     0.4927E+01     2.000     2   6.3890
     20     0.8148E+01     4.000     2   6.7114
     21     0.3696E+01     8.000     2   7.0215
     22     0.3458E+01     8.000     2   7.1188
     23     0.2990E+01     8.000     2   7.3340
     24     0.1088E+02     8.000     2   7.4329
     25     0.2712E+01     8.000     2   7.4806
     26     0.1916E+02    16.000     2   7.6717
     27     0.8252E+01     8.000     2   7.9587
     28     0.5813E+01     8.000     2   8.6625
     29     0.1036E+02    16.000     2   8.9030
     30     0.4376E+01     8.000     2   9.2662
   30 paths kept,   30 examined.
 Done with module 5: F_eff.
 Calculating chi...
 feffdt, feff.bin to feff.dat conversion FEFF 9.6.4
 # Sn                                                               FEFF 9.6.4
 # POT  Non-SCF, core-hole, AFOLP (folp(0)= 1.150)
 # Abs   Z=50 Rmt= 1.379 Rnm= 1.494 K  shell
 # Pot 1 Z= 8 Rmt= 0.991 Rnm= 1.071
 # Pot 2 Z=50 Rmt= 1.375 Rnm= 1.485
 # Gam_ch=1.050E+01 H-L exch Vi= 0.000E+00 Vr= 0.000E+00
 # Mu= 3.767E+00 kf=2.320E+00 Vint=-1.675E+01 Rs_int= 1.563
 # PATH  Rmax= 9.860,  Keep_limit= 0.00, Heap_limit 0.00  Pwcrit= 2.50%
      30 paths to process
    path     filename
       1     feff0001.dat
       2     feff0002.dat
       3     feff0003.dat
       4     feff0004.dat
       5     feff0005.dat
       6     feff0006.dat
       7     feff0007.dat
       8     feff0008.dat
       9     feff0009.dat
      10     feff0010.dat
      11     feff0011.dat
      12     feff0012.dat
      13     feff0013.dat
      14     feff0014.dat
      15     feff0015.dat
      16     feff0016.dat
      17     feff0017.dat
      18     feff0018.dat
      19     feff0019.dat
      20     feff0020.dat
      21     feff0021.dat
      22     feff0022.dat
      23     feff0023.dat
      24     feff0024.dat
      25     feff0025.dat
      26     feff0026.dat
      27     feff0027.dat
      28     feff0028.dat
      29     feff0029.dat
      30     feff0030.dat
    Use all paths with cw amplitude ratio   4.00%
    S02  1.000  Global sig2  0.00000
 Done with module 6: DW + final sum over paths.
