 Feff 8.10
 Maximum orbital momentum for FMS
   iph    lmax1    lmax2
      0      2      3
      1      2      3
      2      2      3
 ZnO  wurtzite   RT  Z. Kihara at al. Anharmonic therma
 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
    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
    muffin tin radii and interstitial parameters
 iph, rnrm(iph)*bohr, rmt(iph)*bohr, folp(iph)
    0  1.42408E+00  1.28927E+00  1.15000E+00
    1  1.08759E+00  9.97170E-01  1.15000E+00
    2  1.37960E+00  1.27152E+00  1.15000E+00
 mu_old=     1.901
 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  25
    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  25
 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
 Done with module 3: FMS.
 Preparing plane wave scattering amplitudes...
 Searching for paths...
    Rmax  9.9721  keep and heap limits   0.0000000   0.0000000
    Preparing neighbor table
    nfound  heapsize  maxheap  maxscatt   reff
      1000     1993     1993      5      5.2233
      2000     3993     3993      6      5.5734
      3000     5985     5985      6      5.8887
      4000     7963     7963      7      6.1200
      5000     9999     9999      7      6.1373
      6000    11995    11995      7      6.2006
      7000    13997    13997      7      6.4125
      8000    15984    15984      7      6.4693
      9000    17998    17998      7      6.4838
     10000    19990    19990      7      6.4866
     11000    21988    21988      7      6.4976
     12000    23994    23994      7      6.5012
     13000    25993    25993      7      6.5453
     14000    27998    27998      7      6.6953
     15000    29988    29988      7      6.7370
     16000    31998    31998      7      6.7810
     17000    33998    33998      7      6.7926
     18000    35998    35998      7      6.8004
     19000    37994    37994      7      6.8062
     20000    39997    39997      7      6.8063
     21000    41996    41996      7      6.8138
     22000    43998    43998      7      6.8343
     23000    45966    45966      7      6.8345
     24000    47996    47996      7      6.8466
     25000    49976    49976      7      6.8479
     26000    51990    51990      7      6.8500
     27000    53992    53992      7      6.8513
     28000    55986    55986      7      6.8783
     29000    57997    57997      7      6.9998
     30000    59969    59969      7      7.0342
   Internal path finder limit exceeded -- path list may be incomplete.
    Paths found    30001   (maxheap, maxscatt   60000   7)
 Eliminating path degeneracies...
    Plane wave chi amplitude filter   2.50%
    Unique paths    111,  total paths     885
 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     3.000     2   1.9739
      2    32.785     1.000     2   1.9884
      3    65.767     6.000     2   3.2076
      4    10.283     1.000     2   3.2154
      5    63.763     6.000     2   3.2494
      6     8.610     6.000     3   3.5850
      7     9.127     6.000     3   3.5850
      8     9.144     6.000     3   3.5850
      9     9.594     6.000     3   3.5984
     10     3.395     2.000     3   3.5985
     11    16.978    10.000     3   3.5984
     12    19.895     3.000     2   3.8018
     13    39.575     6.000     2   3.8095
     14     2.306     4.000     4   3.9475 neglected
     15     3.587     2.000     4   3.9478
     16     1.637     3.000     4   3.9623 neglected
     17     1.646     3.000     4   3.9620 neglected
     18     7.072    12.000     3   4.5125
     19     5.662    12.000     3   4.5124
     20     6.975    12.000     3   4.5237
     21     5.593    12.000     3   4.5237
     22    27.016     6.000     2   4.5658
     23    24.014     6.000     2   4.5714
     24     3.019    20.000     3   4.8325
     25     3.868     8.000     3   4.8765
     26     5.980     6.000     3   4.8764
     27     3.984     4.000     3   4.8765
     28     2.887     8.000     3   4.8764
     29     9.533     3.000     2   4.9589
     30    18.607     6.000     2   5.0011
     31     5.027     6.000     3   5.0774
     32    11.466     6.000     3   5.0774
     33     2.655     6.000     3   5.0775 neglected
     34     8.446    10.000     3   5.1123
     35     7.757     4.000     3   5.1121
     36    15.513     8.000     3   5.1124
     37     5.588    12.000     3   5.1123
     38     2.190     4.000     4   5.1815 neglected
     39     4.579     3.000     4   5.1960
     40     6.321     2.000     2   5.2038
     41     3.754     2.000     3   5.2038
     42     7.401     2.000     3   5.2038
     43     6.965     2.000     3   5.2038
     44     2.464     2.000     4   5.2038 neglected
     45     4.346     1.000     4   5.2038
     46     3.902     1.000     4   5.2038
     47     2.411    10.000     4   5.2233 neglected
     48     3.649     8.000     4   5.2233
     49     5.463     6.000     4   5.2230
     50     6.301     4.000     4   5.2233
     51     3.152     2.000     4   5.2233
     52     2.701    10.000     4   5.2233
     53    30.846    12.000     2   5.6040
     54    15.237     6.000     2   5.6281
     55    12.844    12.000     3   5.6938
     56    14.502    12.000     3   5.6938
     57    12.666    12.000     3   5.6939
     58     4.460     4.000     3   5.7019
     59     2.790     2.000     3   5.7019
     60     5.579     4.000     3   5.7019
     61     4.902     4.000     3   5.7019
     62     2.451     2.000     3   5.7019 neglected
     63     2.319     3.000     4   5.7757 neglected
     64     3.778    10.000     4   5.7831
     65     3.281     4.000     4   5.7834
     66     2.512     4.000     4   5.7834 neglected
     67     5.643     3.000     2   5.9286
     68    11.058     6.000     2   5.9690
     69     3.544    20.000     3   6.0307
     70     2.712    24.000     3   6.0307
     71     2.687    24.000     3   6.0307
     72     2.591    24.000     3   6.0635 neglected
     73     2.900    12.000     3   6.0748
     74     5.146     3.000     2   6.1123
     75     2.755    12.000     4   6.1203
     76    23.817    12.000     2   6.1350
     77     4.717     6.000     3   6.2677
     78     4.733    12.000     3   6.2751
     79     2.956    16.000     3   6.2753
     80     1.479     8.000     3   6.2752 neglected
     81     6.161    12.000     3   6.3474
     82     4.868    12.000     3   6.3474
     83     4.773    12.000     3   6.3474
     84     8.602     6.000     2   6.4818
     85    10.065     6.000     2   6.4988
     86     3.277     6.000     3   6.4988
     87    20.311    12.000     3   6.4988
     88     3.815     6.000     4   6.4988
     89    14.530     6.000     4   6.4988
     90     3.049     6.000     3   6.5108
     91     7.478     6.000     3   6.5108
     92     6.187    24.000     3   6.5140
     93     2.419    24.000     3   6.5140 neglected
     94     2.919    12.000     3   6.5337
     95     2.785    12.000     3   6.5338
     96     3.413     3.000     4   6.5398
     97     2.932    12.000     3   6.5800
     98     2.541    12.000     3   6.5799 neglected
     99     2.539    12.000     3   6.5800 neglected
    100     3.104     8.000     3   6.7369
    101     3.130    10.000     3   6.7369
    102     3.873    12.000     3   6.7370
    103     7.550     6.000     2   6.7606
    104     7.442     6.000     2   6.7918
    105     7.427     6.000     2   6.7962
    106     3.121    12.000     3   6.8888
    107     7.299    12.000     3   6.8890
    108     7.133    12.000     3   6.9215
    109     3.506     3.000     2   6.9223
    110     3.037    12.000     3   6.9276
    111     7.075    12.000     3   6.9275
   96 paths kept,  111 examined.
 Done with module 5: F_eff.
 Calculating chi...
    Use all paths with cw amplitude ratio   4.00%
    S02  1.000  Temp  300.00  Debye temp  750.00  Global sig2  0.00000
 Done with module 6: DW + final sum over paths.
 Feff done.  Have a nice day.
