 Feff 8.10
 Maximum orbital momentum for FMS
   iph    lmax1    lmax2
      0      2      3
      1      2      3
      2      2      3
      3      2      3
 Al:ZrO2  tetragonal for ZrO2 VS155
 Calculating potentials ...
    free atom potential and density for atom type    0
    free atom potential and density for atom type    1
    free atom potential and density for atom type    2
    free atom potential and density for atom type    3
    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
    overlapped potential and density for unique potential    3
    muffin tin radii and interstitial parameters
 iph, rnrm(iph)*bohr, rmt(iph)*bohr, folp(iph)
    0  1.53769E+00  1.44732E+00  1.15000E+00
    1  1.08387E+00  1.01914E+00  1.15000E+00
    2  1.46407E+00  1.39225E+00  1.13682E+00
    3  1.54628E+00  1.45163E+00  1.15000E+00
 mu_old=     0.637
 Done with module 1: potentials.
 Calculating cross-section and phases...
    absorption cross section
    phase shifts for unique potential    0
 WARNING: increase ltot in dim.h for more accuracy at high k to  28
    phase shifts for unique potential    1
    phase shifts for unique potential    2
 WARNING: increase ltot in dim.h for more accuracy at high k to  27
    phase shifts for unique potential    3
 WARNING: increase ltot in dim.h for more accuracy at high k to  29
 Done with module 2: cross-section and phases...
 Maximum orbital momentum for FMS
   iph    lmax1    lmax2
      0      2      3
      1      2      3
      2      2      3
      3      2      3
 Done with module 3: FMS.
 Preparing plane wave scattering amplitudes...
 Searching for paths...
    Rmax  9.9065  keep and heap limits   0.0000000   0.0000000
    Preparing neighbor table
    Paths found      386   (maxheap, maxscatt       1   1)
 Eliminating path degeneracies...
    Plane wave chi amplitude filter   2.50%
    Unique paths     37,  total paths     249
 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   100.000     4.000     2   2.0916
      2    73.142     4.000     2   2.3627
      3     5.888     1.000     2   3.6040
      4    25.317     3.000     2   3.6040
      5     5.740     1.000     2   3.6335
      6    57.799     7.000     2   3.6335
      7    15.323     4.000     2   4.0723
      8    28.497     8.000     2   4.1670
      9    25.595     8.000     2   4.3094
     10    11.163     4.000     2   4.4951
     11     9.508     3.000     2   5.0968
     12     3.018     1.000     2   5.1800
     13    11.712     8.000     2   5.4381
     14     5.594     4.000     2   5.5093
     15     5.220     4.000     2   5.6178
     16     9.537     8.000     2   5.7615
     17    24.922    15.000     2   6.2594
     18    11.325     7.000     2   6.3104
     19     3.063     4.000     2   6.4968
     20     3.015     4.000     2   6.5239
     21     5.826     8.000     2   6.5834
     22     5.528     8.000     2   6.6745
     23     3.098     3.000     2   7.2080
     24     7.028     7.000     2   7.2671
     25     3.637     8.000     2   7.4295
     26     3.590     8.000     2   7.4532
     27     3.491     8.000     2   7.5053
     28     3.346     8.000     2   7.5854
     29     3.161     8.000     2   7.6924
     30     2.948     8.000     2   7.8253
     31     4.874     7.000     2   8.0588
     32     4.845     7.000     2   8.0720
     33     4.623     7.000     2   8.1772
     34     3.419     7.000     2   8.8762
     35     5.566    15.000     2   9.5465
     36     5.492    15.000     2   9.5800
     37     5.372    15.000     2   9.6356
   37 paths kept,   37 examined.
 Done with module 5: F_eff.
 Calculating chi...
 feffdt, feff.bin to feff.dat conversion Feff 8.10
 Al:ZrO2  tetragonal for ZrO2 VS155                               Feff 8.10
 Abs   Z=40 Rmt= 1.447 Rnm= 1.538 K  shell
 Pot 1 Z= 8 Rmt= 1.019 Rnm= 1.084
 Pot 2 Z=13 Rmt= 1.392 Rnm= 1.464
 Pot 3 Z=40 Rmt= 1.452 Rnm= 1.546
 Gam_ch=4.800E+00 H-L exch
 Mu= 6.366E-01 kf=2.264E+00 Vint=-1.890E+01 Rs_int= 1.602
      37 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
      31     feff0031.dat
      32     feff0032.dat
      33     feff0033.dat
      34     feff0034.dat
      35     feff0035.dat
      36     feff0036.dat
      37     feff0037.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.
 Feff done.  Have a nice day.
