 Feff 8.10
 Maximum orbital momentum for FMS
   iph    lmax1    lmax2
      0      2      3
      1      2      3
      2      2      3
 zro2  monoclinic   NDP RT  Howard et al. Acta Crys B44
 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  1.52657E+00  1.43625E+00  1.15000E+00
    1  1.08286E+00  9.92073E-01  1.15000E+00
    2  1.53523E+00  1.43994E+00  1.15000E+00
 mu_old=     0.878
 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  28
 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  9.9932  keep and heap limits   0.0000000   0.0000000
    Preparing neighbor table
    Paths found      359   (maxheap, maxscatt       1   1)
 Eliminating path degeneracies...
    Plane wave chi amplitude filter   2.50%
    Unique paths    126,  total paths     176
 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     1.000     2   2.0519
      2    98.655     1.000     2   2.0630
      3    88.603     1.000     2   2.1528
      4    88.184     1.000     2   2.1568
      5    86.171     1.000     2   2.1764
      6    79.873     1.000     2   2.2418
      7    77.626     1.000     2   2.2667
      8    39.494     1.000     2   3.3330
      9    72.332     2.000     2   3.4471
     10    71.318     2.000     2   3.4656
     11    35.414     1.000     2   3.4747
     12    32.628     1.000     2   3.5837
     13    21.431     1.000     2   3.5951
     14    19.244     1.000     2   3.7249
     15    19.164     1.000     2   3.7300
     16    18.637     1.000     2   3.7642
     17    17.023     1.000     2   3.8765
     18    50.894     2.000     2   3.9292
     19    16.226     1.000     2   3.9368
     20    15.310     1.000     2   4.0107
     21    47.748     2.000     2   4.0216
     22    14.790     1.000     2   4.0551
     23    12.637     1.000     2   4.2610
     24    12.602     1.000     2   4.2648
     25    12.113     1.000     2   4.3176
     26    11.935     1.000     2   4.3375
     27    11.627     1.000     2   4.3727
     28    10.967     1.000     2   4.4521
     29    10.815     1.000     2   4.4712
     30    10.731     1.000     2   4.4820
     31    10.696     1.000     2   4.4865
     32    10.550     1.000     2   4.5054
     33    16.921     1.000     2   4.5457
     34    10.078     1.000     2   4.5686
     35    10.048     1.000     2   4.5727
     36     9.793     1.000     2   4.6086
     37     8.600     1.000     2   4.7923
     38     8.289     1.000     2   4.8452
     39     7.955     1.000     2   4.9045
     40     7.870     1.000     2   4.9202
     41     7.820     1.000     2   4.9295
     42     7.546     1.000     2   4.9815
     43     7.359     1.000     2   5.0185
     44    23.433     2.000     2   5.1505
     45     6.557     1.000     2   5.1901
     46    22.611     2.000     2   5.2116
     47    21.269     2.000     2   5.3173
     48     5.839     1.000     2   5.3663
     49     5.474     1.000     2   5.4657
     50     5.456     1.000     2   5.4709
     51     5.434     1.000     2   5.4772
     52     5.314     1.000     2   5.5117
     53     5.148     1.000     2   5.5615
     54     5.024     1.000     2   5.5999
     55     4.726     1.000     2   5.6965
     56     4.715     1.000     2   5.7002
     57     4.695     1.000     2   5.7067
     58     4.360     1.000     2   5.8253
     59     7.983     1.000     2   5.8291
     60    15.938     2.000     2   5.8324
     61    15.834     2.000     2   5.8444
     62     8.572     2.000     2   5.8530
     63     4.269     1.000     2   5.8594
     64     7.635     1.000     2   5.9112
     65     4.050     1.000     2   5.9450
     66     7.373     1.000     2   5.9760
     67     3.932     1.000     2   5.9935
     68     3.894     1.000     2   6.0091
     69     3.541     1.000     2   6.1664
     70    13.162     2.000     2   6.1894
     71     3.409     1.000     2   6.2297
     72     3.398     1.000     2   6.2356
     73     3.368     1.000     2   6.2505
     74    12.512     2.000     2   6.2860
     75     3.199     1.000     2   6.3368
     76    11.748     2.000     2   6.4073
     77     2.966     1.000     2   6.4660
     78     2.940     1.000     2   6.4809
     79     5.533     1.000     2   6.5239
     80     2.849     1.000     2   6.5349
     81     2.836     1.000     2   6.5428
     82    10.961     2.000     2   6.5424
     83     2.833     1.000     2   6.5447
     84     2.828     1.000     2   6.5477
     85     2.768     1.000     2   6.5848
     86     2.750     1.000     2   6.5963
     87     5.330     1.000     2   6.5974
     88     5.328     1.000     2   6.5980
     89     2.735     1.000     2   6.6060
     90     2.727     1.000     2   6.6111
     91     5.175     1.000     2   6.6554
     92     2.649     1.000     2   6.6612 neglected
     93     9.706     2.000     2   6.7835
     94     9.332     2.000     2   6.8625
     95     3.921     1.000     2   7.2191
     96     7.550     2.000     2   7.2985
     97    14.895     4.000     2   7.3272
     98    14.084     4.000     2   7.4454
     99     3.244     1.000     2   7.6209
    100     3.241     1.000     2   7.6224
    101     5.836     2.000     2   7.8510
    102     5.790     2.000     2   7.8685
    103     2.790     1.000     2   7.9498
    104     5.519     2.000     2   7.9741
    105     2.573     1.000     2   8.1298 neglected
    106     5.114     2.000     2   8.1444
    107     2.454     1.000     2   8.2372 neglected
    108     4.832     2.000     2   8.2722
    109     4.665     2.000     2   8.3523
    110     2.308     1.000     2   8.3761 neglected
    111     4.411     2.000     2   8.4807
    112     4.323     2.000     2   8.5276
    113     8.546     4.000     2   8.5543
    114     4.105     2.000     2   8.6479
    115     3.474     2.000     2   9.0432
    116     3.468     2.000     2   9.0474
    117     3.465     2.000     2   9.0496
    118     3.300     2.000     2   9.1677
    119     4.732     3.000     2   9.2774
    120     2.993     2.000     2   9.4063
    121     5.704     4.000     2   9.5261
    122     2.731     2.000     2   9.6350
    123     2.675     2.000     2   9.6869
    124     2.592     2.000     2   9.7660 neglected
    125     2.513     2.000     2   9.8449 neglected
    126     2.463     2.000     2   9.8959 neglected
  119 paths kept,  126 examined.
 Done with module 5: F_eff.
 Calculating chi...
 feffdt, feff.bin to feff.dat conversion Feff 8.10
 zro2  monoclinic   NDP RT  Howard et al. Acta Crys B44           Feff 8.10
 Abs   Z=40 Rmt= 1.436 Rnm= 1.527 K  shell
 Pot 1 Z= 8 Rmt= 0.992 Rnm= 1.083
 Pot 2 Z=40 Rmt= 1.440 Rnm= 1.535
 Gam_ch=4.800E+00 H-L exch
 Mu= 8.781E-01 kf=2.263E+00 Vint=-1.863E+01 Rs_int= 1.603
     119 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
      38     feff0038.dat
      39     feff0039.dat
      40     feff0040.dat
      41     feff0041.dat
      42     feff0042.dat
      43     feff0043.dat
      44     feff0044.dat
      45     feff0045.dat
      46     feff0046.dat
      47     feff0047.dat
      48     feff0048.dat
      49     feff0049.dat
      50     feff0050.dat
      51     feff0051.dat
      52     feff0052.dat
      53     feff0053.dat
      54     feff0054.dat
      55     feff0055.dat
      56     feff0056.dat
      57     feff0057.dat
      58     feff0058.dat
      59     feff0059.dat
      60     feff0060.dat
      61     feff0061.dat
      62     feff0062.dat
      63     feff0063.dat
      64     feff0064.dat
      65     feff0065.dat
      66     feff0066.dat
      67     feff0067.dat
      68     feff0068.dat
      69     feff0069.dat
      70     feff0070.dat
      71     feff0071.dat
      72     feff0072.dat
      73     feff0073.dat
      74     feff0074.dat
      75     feff0075.dat
      76     feff0076.dat
      77     feff0077.dat
      78     feff0078.dat
      79     feff0079.dat
      80     feff0080.dat
      81     feff0081.dat
      82     feff0082.dat
      83     feff0083.dat
      84     feff0084.dat
      85     feff0085.dat
      86     feff0086.dat
      87     feff0087.dat
      88     feff0088.dat
      89     feff0089.dat
      90     feff0090.dat
      91     feff0091.dat
      92     feff0093.dat
      93     feff0094.dat
      94     feff0095.dat
      95     feff0096.dat
      96     feff0097.dat
      97     feff0098.dat
      98     feff0099.dat
      99     feff0100.dat
     100     feff0101.dat
     101     feff0102.dat
     102     feff0103.dat
     103     feff0104.dat
     104     feff0106.dat
     105     feff0108.dat
     106     feff0109.dat
     107     feff0111.dat
     108     feff0112.dat
     109     feff0113.dat
     110     feff0114.dat
     111     feff0115.dat
     112     feff0116.dat
     113     feff0117.dat
     114     feff0118.dat
     115     feff0119.dat
     116     feff0120.dat
     117     feff0121.dat
     118     feff0122.dat
     119     feff0123.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.
