Feff84 GeH4 xmu.dat

From FEFF

This is an example output file for GeH4 from FEFF84.

# GeH_4  r=1.00 /AA                                              Feff 8.40   
# POT  SCF  30  3.0000   1, NO core-hole, AFOLP (folp(0)= 1.150)
# Abs   Z=32 Rmt= 1.356 Rnm= 1.715 K  shell
# RPHASES
# Pot 1 Z= 1 Rmt= 0.863 Rnm= 1.091
# Gam_ch=2.284E+00 H-L exch
# Mu=-6.343E+00 kf=1.537E+00 Vint=-9.249E+00 Rs_int= 2.359
# FMS rfms= 3.0000
# PATH  Rmax= 1.000,  Keep_limit= 0.00, Heap_limit 0.00  Pwcrit= 2.50%
#  S02=1.000                                        Global_sig2= 0.00000
#  Curved wave amplitude ratio filter   4.000%
#     file         sig2 tot  cw amp ratio   deg  nlegs   reff  inp sig2
#     0/   0 paths used
#  xsedge+ 50, used to normalize mu           2.0320E-04
#  -----------------------------------------------------------------------
#  omega    e    k    mu    mu0     chi     @#
  11066.683    -50.387  -3.400  8.91300E-03  1.05221E-02 -1.60908E-03
  11075.051    -42.019  -3.060  1.11894E-02  1.31251E-02 -1.93576E-03
  11082.538    -34.531  -2.720  1.44374E-02  1.69438E-02 -2.50637E-03
  11089.145    -27.925  -2.380  1.92692E-02  2.28593E-02 -3.59012E-03
  11094.870    -22.199  -2.040  2.68257E-02  3.26755E-02 -5.84978E-03
  11099.715    -17.354  -1.700  3.93765E-02  5.04752E-02 -1.10986E-02
  11103.679    -13.390  -1.360  6.17819E-02  8.67562E-02 -2.49742E-02
  11106.762    -10.307  -1.020  1.05226E-01  1.73057E-01 -6.78304E-02
  11108.964     -8.105  -0.680  1.94916E-01  4.15085E-01 -2.20169E-01
  11110.285     -6.784  -0.340  3.45341E-01  9.74771E-01 -6.29430E-01
  11110.726     -6.343   0.000  4.36074E-01  1.30031E+00 -8.64234E-01
  11111.297     -5.772   0.387  7.51869E-01  1.67436E+00 -9.22490E-01
  11111.717     -5.353   0.510  8.37435E-01  1.82969E+00 -9.92253E-01
  11112.488     -4.582   0.680  9.65060E-01  1.90207E+00 -9.37015E-01
  11113.479     -3.591   0.850  1.18110E+00  1.80850E+00 -6.27408E-01
  11114.690     -2.380   1.020  1.46751E+00  1.63729E+00 -1.69783E-01
  11116.121     -0.948   1.190  1.64349E+00  1.46011E+00  1.83382E-01
  11117.773      0.703   1.360  1.61343E+00  1.30822E+00  3.05212E-01
  11119.645      2.575   1.530  1.47198E+00  1.18826E+00  2.83715E-01
  11121.737      4.667   1.700  1.31797E+00  1.09730E+00  2.20671E-01
  11124.049      6.980   1.870  1.18023E+00  1.03028E+00  1.49944E-01
  11126.582      9.512   2.040  1.06035E+00  9.82437E-01  7.79112E-02
  11129.334     12.265   2.210  9.73437E-01  9.49969E-01  2.34680E-02
  11132.307     15.238   2.380  9.15096E-01  9.29952E-01 -1.48560E-02
  11135.500     18.431   2.550  8.82810E-01  9.20074E-01 -3.72640E-02
  11138.914     21.844   2.720  8.74128E-01  9.18485E-01 -4.43569E-02
  11142.547     25.478   2.890  8.82792E-01  9.23567E-01 -4.07752E-02
  11146.401     29.332   3.060  9.02358E-01  9.33809E-01 -3.14507E-02
  11150.475     33.406   3.230  9.27707E-01  9.47633E-01 -1.99268E-02
  11154.769     37.700   3.400  9.55028E-01  9.63472E-01 -8.44417E-03
  11159.284     42.214   3.570  9.81510E-01  9.79721E-01  1.78853E-03
  11164.018     46.949   3.740  1.00516E+00  9.94882E-01  1.02754E-02
  11168.973     51.904   3.910  1.02433E+00  1.00750E+00  1.68324E-02
  11174.148     57.079   4.080  1.03790E+00  1.01662E+00  2.12803E-02
  11179.544     62.474   4.250  1.04490E+00  1.02159E+00  2.33165E-02
  11185.159     68.090   4.420  1.04493E+00  1.02240E+00  2.25366E-02
  11190.995     73.926   4.590  1.03806E+00  1.01946E+00  1.86055E-02
  11197.051     79.982   4.760  1.02518E+00  1.01359E+00  1.15887E-02
  11203.327     86.258   4.930  1.00813E+00  1.00580E+00  2.33685E-03
  11209.824     92.754   5.100  9.89763E-01  9.97154E-01 -7.39069E-03
  11216.540     99.471   5.270  9.73393E-01  9.88760E-01 -1.53664E-02
  11223.477    106.408   5.440  9.61597E-01  9.81388E-01 -1.97910E-02
  11230.634    113.565   5.610  9.55671E-01  9.75665E-01 -1.99940E-02
  11238.011    120.942   5.780  9.55489E-01  9.71938E-01 -1.64493E-02
  11245.609    128.539   5.950  9.59956E-01  9.70269E-01 -1.03138E-02
  11253.427    136.357   6.120  9.67588E-01  9.70547E-01 -2.95873E-03
  11261.465    144.395   6.290  9.76649E-01  9.72387E-01  4.26236E-03
  11269.723    152.653   6.460  9.85351E-01  9.75256E-01  1.00950E-02
  11278.201    161.132   6.630  9.92027E-01  9.78553E-01  1.34741E-02
  11286.900    169.830   6.800  9.95293E-01  9.81564E-01  1.37288E-02
  11295.818    178.749   6.970  9.94599E-01  9.83733E-01  1.08653E-02
  11304.957    187.888   7.140  9.90328E-01  9.84614E-01  5.71449E-03
  11314.317    197.247   7.310  9.83613E-01  9.83878E-01 -2.64866E-04
  11323.896    206.827   7.480  9.75889E-01  9.81388E-01 -5.49921E-03
  11333.696    216.626   7.650  9.69148E-01  9.77976E-01 -8.82850E-03
  11343.716    226.646   7.820  9.63690E-01  9.73502E-01 -9.81193E-03
  11353.956    236.886   7.990  9.59728E-01  9.68245E-01 -8.51700E-03
  11364.416    247.347   8.160  9.54579E-01  9.59993E-01 -5.41438E-03
  11375.097    258.027   8.330  9.53125E-01  9.54519E-01 -1.39390E-03
  11385.997    268.928   8.500  9.55912E-01  9.53242E-01  2.66968E-03
  11397.118    280.049   8.670  9.55937E-01  9.49982E-01  5.95514E-03
  11408.459    291.390   8.840  9.55057E-01  9.47400E-01  7.65715E-03
  11420.021    302.951   9.010  9.52986E-01  9.45607E-01  7.37883E-03
  11431.802    314.733   9.180  9.49848E-01  9.44583E-01  5.26447E-03
  11443.804    326.735   9.350  9.45631E-01  9.43672E-01  1.95978E-03
  11456.026    338.957   9.520  9.41684E-01  9.43275E-01 -1.59051E-03
  11468.469    351.399   9.690  9.38275E-01  9.42738E-01 -4.46333E-03
  11481.131    364.062   9.860  9.35542E-01  9.41463E-01 -5.92123E-03
developer's resources