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|
# Uraninite Feff 8.50L
# Wyckoff, R. W. G.
# Second edition. Interscience Publishers, New York, New York
# Fluorite structure
# POT SCF 30 4.0000 0, core-hole, AFOLP (folp(0)= 1.150)
# Abs Z=92 Rmt= 1.631 Rnm= 1.711 L3 shell
# Pot 1 Z=92 Rmt= 1.636 Rnm= 1.717
# Pot 2 Z= 8 Rmt= 1.044 Rnm= 1.096
# Gam_ch=8.104E+00 H-L exch
# Mu=-8.114E+00 kf=2.112E+00 Vint=-1.836E+01 Rs_int= 1.717
# PATH Rmax= 5.500, Keep_limit= 0.00, Heap_limit 0.00 Pwcrit= 2.50%
# S02=0.909 Global_sig2= 0.00000
# Curved wave amplitude ratio filter 4.000%
# file sig2 tot cw amp ratio deg nlegs reff inp sig2
# 1 0.00000 100.00 8.00 2 2.3678
# 2 0.00000 7.81 24.00 3 3.7349
# 3 0.00000 55.64 12.00 2 3.8666
# 4 0.00000 8.54 24.00 3 4.3011
# 5 0.00000 9.11 48.00 3 4.3011
# 6 0.00000 31.04 24.00 2 4.5340
# 7 0.00000 5.77 8.00 3 4.7356
# 8 0.00000 17.88 8.00 4 4.7356
# 9 0.00000 5.91 8.00 4 4.7356
# 10 0.00000 6.21 24.00 4 4.7356
# 11 0.00000 13.45 48.00 3 4.8179
# 12 0.00000 4.51 24.00 4 5.1019
# 13 0.00000 7.49 96.00 3 5.3842
# 14 0.00000 4.84 96.00 3 5.3842
# 15 0.00000 15.29 96.00 3 5.3842
# 16 0.00000 10.03 6.00 2 5.4682
# 16/ 16 paths used
# -----------------------------------------------------------------------
# k chi mag phase @#
0.0500 -4.439636E-02 1.143602E-01 -3.986939E-01
0.1000 -4.405049E-02 1.151526E-01 -3.925439E-01
0.1500 -4.294659E-02 1.174669E-01 -3.742837E-01
0.2000 -4.175430E-02 1.197993E-01 -3.560082E-01
0.2500 -3.954955E-02 1.235126E-01 -3.259476E-01
0.3000 -3.710796E-02 1.272782E-01 -2.958468E-01
0.3500 -3.328938E-02 1.322072E-01 -2.545368E-01
0.4000 -2.903237E-02 1.372454E-01 -2.131465E-01
0.4500 -2.300014E-02 1.431926E-01 -1.613226E-01
0.5000 -1.629542E-02 1.493379E-01 -1.093355E-01
0.5500 -7.408200E-03 1.561323E-01 -4.746603E-02
0.6000 2.402207E-03 1.632485E-01 1.471556E-02
0.6500 1.458106E-02 1.708916E-01 8.542729E-02
0.7000 2.798598E-02 1.790455E-01 1.569501E-01
0.7500 4.405504E-02 1.877168E-01 2.368985E-01
0.8000 6.173922E-02 1.971124E-01 3.185799E-01
0.8500 8.240041E-02 2.070627E-01 4.092801E-01
0.9000 1.050453E-01 2.178936E-01 5.030439E-01
0.9500 1.307992E-01 2.292721E-01 6.071117E-01
1.0000 1.584493E-01 2.414967E-01 7.156574E-01
1.0500 1.884398E-01 2.539440E-01 8.361273E-01
1.1000 2.189487E-01 2.669015E-01 9.619968E-01
1.1500 2.490414E-01 2.793774E-01 1.100459E+00
1.2000 2.763301E-01 2.917289E-01 1.244436E+00
1.2500 2.982129E-01 3.025838E-01 1.400620E+00
1.3000 3.124930E-01 3.125059E-01 1.561729E+00
1.3500 3.156036E-01 3.198455E-01 1.733842E+00
1.4000 3.069143E-01 3.254463E-01 1.909890E+00
1.4500 2.835274E-01 3.275780E-01 2.095393E+00
1.5000 2.476311E-01 3.273416E-01 2.283661E+00
1.5500 1.986499E-01 3.230533E-01 2.479316E+00
1.6000 1.417540E-01 3.160432E-01 2.676476E+00
1.6500 7.911430E-02 3.048719E-01 2.879088E+00
1.7000 1.743457E-02 2.909921E-01 3.081643E+00
1.7500 -3.967818E-02 2.732830E-01 3.287298E+00
1.8000 -8.658660E-02 2.532492E-01 3.490534E+00
1.8500 -1.205732E-01 2.301181E-01 3.693089E+00
1.9000 -1.395849E-01 2.054292E-01 3.888646E+00
1.9500 -1.437878E-01 1.787991E-01 4.075897E+00
2.0000 -1.355481E-01 1.518448E-01 4.244840E+00
2.0500 -1.177935E-01 1.244444E-01 4.383975E+00
2.1000 -9.636087E-02 9.932580E-02 4.467439E+00
2.1500 -7.628984E-02 7.876096E-02 4.461230E+00
2.2000 -6.170601E-02 6.625514E-02 4.339666E+00
2.2500 -5.594765E-02 6.517613E-02 4.173749E+00
2.3000 -5.933824E-02 7.361506E-02 4.079059E+00
2.3500 -7.085998E-02 8.694394E-02 4.094335E+00
2.4000 -8.799232E-02 1.015369E-01 4.189949E+00
2.4500 -1.076577E-01 1.155672E-01 4.340272E+00
2.5000 -1.252801E-01 1.276454E-01 4.519579E+00
2.5500 -1.372889E-01 1.372896E-01 4.715354E+00
2.6000 -1.412203E-01 1.443229E-01 4.920115E+00
2.6500 -1.369389E-01 1.488526E-01 5.115200E+00
2.7000 -1.256930E-01 1.523867E-01 5.313285E+00
2.7500 -1.080174E-01 1.548587E-01 5.511251E+00
2.8000 -8.504457E-02 1.560723E-01 5.706909E+00
2.8500 -5.798580E-02 1.571868E-01 5.905363E+00
2.9000 -2.768709E-02 1.572996E-01 6.106249E+00
2.9500 4.014926E-03 1.564124E-01 6.308857E+00
3.0000 3.514116E-02 1.545468E-01 6.512574E+00
3.0500 6.450740E-02 1.528880E-01 6.718754E+00
3.1000 9.006225E-02 1.503297E-01 6.925560E+00
3.1500 1.103102E-01 1.469229E-01 7.132462E+00
3.2000 1.242150E-01 1.427290E-01 7.338968E+00
3.2500 1.322989E-01 1.386632E-01 7.549834E+00
3.3000 1.332882E-01 1.338842E-01 7.759592E+00
3.3500 1.276476E-01 1.284768E-01 7.967658E+00
3.4000 1.163345E-01 1.225331E-01 8.173416E+00
3.4500 1.003762E-01 1.162104E-01 8.382122E+00
3.5000 8.133715E-02 1.094539E-01 8.587061E+00
3.5500 6.094591E-02 1.023814E-01 8.787160E+00
3.6000 4.082696E-02 9.512069E-02 8.981158E+00
3.6500 2.206500E-02 8.771301E-02 9.170487E+00
3.7000 6.078080E-03 8.037856E-02 9.349088E+00
3.7500 -6.565311E-03 7.331770E-02 9.514444E+00
3.8000 -1.581572E-02 6.675419E-02 9.663977E+00
3.8500 -2.186822E-02 6.094148E-02 9.791802E+00
3.9000 -2.573567E-02 5.626333E-02 9.899864E+00
3.9500 -2.844210E-02 5.294933E-02 9.991841E+00
4.0000 -3.096648E-02 5.110238E-02 1.007576E+01
4.0500 -3.421156E-02 5.095806E-02 1.016083E+01
4.1000 -3.861034E-02 5.202012E-02 1.026115E+01
4.1500 -4.405125E-02 5.386482E-02 1.038238E+01
4.2000 -4.997532E-02 5.606532E-02 1.052515E+01
4.2500 -5.593509E-02 5.865806E-02 1.068968E+01
4.3000 -6.043717E-02 6.090803E-02 1.087115E+01
4.3500 -6.245320E-02 6.260454E-02 1.106512E+01
4.4000 -6.127844E-02 6.361931E-02 1.126769E+01
4.4500 -5.672809E-02 6.406955E-02 1.147899E+01
4.5000 -4.883470E-02 6.370380E-02 1.169286E+01
4.5500 -3.835888E-02 6.256765E-02 1.190642E+01
4.6000 -2.639159E-02 6.075218E-02 1.211698E+01
4.6500 -1.398038E-02 5.852913E-02 1.232518E+01
4.7000 -2.310378E-03 5.586737E-02 1.252500E+01
4.7500 7.788228E-03 5.297284E-02 1.271393E+01
4.8000 1.592038E-02 5.007669E-02 1.288991E+01
4.8500 2.222975E-02 4.745616E-02 1.305388E+01
4.9000 2.697313E-02 4.528345E-02 1.320445E+01
4.9500 3.072371E-02 4.374592E-02 1.334502E+01
5.0000 3.403921E-02 4.294153E-02 1.348158E+01
5.0500 3.740563E-02 4.295235E-02 1.362333E+01
5.1000 4.071286E-02 4.354560E-02 1.377448E+01
5.1500 4.365586E-02 4.452577E-02 1.393917E+01
5.2000 4.566043E-02 4.566804E-02 1.411892E+01
5.2500 4.604977E-02 4.679113E-02 1.431541E+01
5.3000 4.413880E-02 4.766458E-02 1.452421E+01
5.3500 3.958228E-02 4.815396E-02 1.474306E+01
5.4000 3.241865E-02 4.816752E-02 1.496965E+01
5.4500 2.301562E-02 4.767501E-02 1.520416E+01
5.5000 1.228584E-02 4.663416E-02 1.544137E+01
5.5500 1.294671E-03 4.506479E-02 1.567923E+01
5.6000 -8.872060E-03 4.301340E-02 1.591572E+01
5.6500 -1.730175E-02 4.053413E-02 1.614896E+01
5.7000 -2.335456E-02 3.774374E-02 1.637513E+01
5.7500 -2.686497E-02 3.475585E-02 1.659146E+01
5.8000 -2.805827E-02 3.169777E-02 1.679485E+01
5.8500 -2.742865E-02 2.870811E-02 1.697908E+01
5.9000 -2.573904E-02 2.598103E-02 1.714217E+01
5.9500 -2.366857E-02 2.366878E-02 1.728295E+01
6.0000 -2.172238E-02 2.189348E-02 1.740386E+01
6.0500 -2.028675E-02 2.080826E-02 1.750312E+01
6.1000 -1.937598E-02 2.042818E-02 1.760111E+01
6.1500 -1.871804E-02 2.061902E-02 1.771154E+01
6.2000 -1.790530E-02 2.118085E-02 1.784233E+01
6.2500 -1.652942E-02 2.191236E-02 1.799490E+01
6.3000 -1.429640E-02 2.265174E-02 1.816654E+01
6.3500 -1.109578E-02 2.328889E-02 1.835295E+01
6.4000 -7.014359E-03 2.376130E-02 1.854989E+01
6.4500 -2.300888E-03 2.404418E-02 1.875372E+01
6.5000 2.699656E-03 2.414007E-02 1.896162E+01
6.5500 7.642101E-03 2.439373E-02 1.916820E+01
6.6000 1.237893E-02 2.455896E-02 1.937784E+01
6.6500 1.663614E-02 2.465207E-02 1.959030E+01
6.7000 2.016961E-02 2.468434E-02 1.980592E+01
6.7500 2.275890E-02 2.465711E-02 2.002540E+01
6.8000 2.420226E-02 2.455938E-02 2.024961E+01
6.8500 2.432550E-02 2.436793E-02 2.047937E+01
6.9000 2.301127E-02 2.404982E-02 2.071530E+01
6.9500 2.024510E-02 2.356642E-02 2.095771E+01
7.0000 1.616441E-02 2.287810E-02 2.120654E+01
7.0500 1.132623E-02 2.233000E-02 2.145919E+01
7.1000 5.775299E-03 2.152967E-02 2.171957E+01
7.1500 8.385744E-05 2.044254E-02 2.198705E+01
7.2000 -5.074077E-03 1.904560E-02 2.226082E+01
7.2500 -9.040397E-03 1.732854E-02 2.254000E+01
7.3000 -1.131036E-02 1.529417E-02 2.282351E+01
7.3500 -1.165697E-02 1.295821E-02 2.310996E+01
7.4000 -1.020837E-02 1.034863E-02 2.339712E+01
7.4500 -7.452501E-03 7.504780E-03 2.368005E+01
7.5000 -4.159592E-03 4.478138E-03 2.394140E+01
7.5500 -1.374340E-03 1.554720E-03 2.404843E+01
7.6000 3.340911E-04 1.647833E-03 2.178699E+01
7.6500 3.801543E-04 4.723938E-03 2.191059E+01
7.7000 -1.474014E-03 7.822533E-03 2.218071E+01
7.7500 -5.043249E-03 1.085701E-02 2.247424E+01
7.8000 -9.732385E-03 1.376718E-02 2.277629E+01
7.8500 -1.463894E-02 1.649856E-02 2.308258E+01
7.9000 -1.872605E-02 1.900218E-02 2.339126E+01
7.9500 -2.102967E-02 2.123570E-02 2.370136E+01
8.0000 -2.085561E-02 2.316455E-02 2.401223E+01
8.0500 -1.790676E-02 2.471357E-02 2.432233E+01
8.1000 -1.245371E-02 2.594737E-02 2.463213E+01
8.1500 -5.108348E-03 2.685640E-02 2.494137E+01
8.2000 3.203726E-03 2.743963E-02 2.524976E+01
8.2500 1.140609E-02 2.770440E-02 2.555707E+01
8.3000 1.845582E-02 2.766616E-02 2.586304E+01
8.3500 2.351140E-02 2.734765E-02 2.616747E+01
8.4000 2.605230E-02 2.677791E-02 2.647021E+01
8.4500 2.593130E-02 2.599079E-02 2.677121E+01
8.5000 2.335688E-02 2.502330E-02 2.707055E+01
8.5500 1.886099E-02 2.394486E-02 2.736729E+01
8.6000 1.306457E-02 2.276756E-02 2.766317E+01
8.6500 6.675298E-03 2.151817E-02 2.795891E+01
8.7000 3.794717E-04 2.021975E-02 2.825557E+01
8.7500 -5.223844E-03 1.889101E-02 2.855451E+01
8.8000 -9.663104E-03 1.754623E-02 2.885756E+01
8.8500 -1.261325E-02 1.619592E-02 2.916707E+01
8.9000 -1.390151E-02 1.484851E-02 2.948606E+01
8.9500 -1.350833E-02 1.351314E-02 2.981844E+01
9.0000 -1.156813E-02 1.220405E-02 3.016937E+01
9.0500 -8.398085E-03 1.095413E-02 3.054230E+01
9.1000 -4.412221E-03 9.779755E-03 3.094786E+01
9.1500 -1.783756E-04 8.751083E-03 3.139554E+01
9.2000 3.658439E-03 7.975821E-03 3.189245E+01
9.2500 6.459192E-03 7.587671E-03 3.243434E+01
9.3000 7.693917E-03 7.694326E-03 3.299703E+01
9.3500 7.046534E-03 8.308978E-03 3.354520E+01
9.4000 4.498080E-03 9.343303E-03 3.405524E+01
9.4500 3.656531E-04 1.066689E-02 3.452323E+01
9.5000 -4.718837E-03 1.215874E-02 3.495609E+01
9.5500 -9.918089E-03 1.371956E-02 3.536553E+01
9.6000 -1.424176E-02 1.528857E-02 3.575612E+01
9.6500 -1.680681E-02 1.680700E-02 3.613314E+01
9.7000 -1.698068E-02 1.822752E-02 3.650033E+01
9.7500 -1.451376E-02 1.951169E-02 3.686030E+01
9.8000 -9.603938E-03 2.062867E-02 3.721484E+01
9.8500 -2.877420E-03 2.155452E-02 3.756522E+01
9.9000 4.712488E-03 2.227191E-02 3.791231E+01
9.9500 1.204956E-02 2.276990E-02 3.825676E+01
10.0000 1.804916E-02 2.304374E-02 3.859900E+01
10.0500 2.193340E-02 2.316707E-02 3.894210E+01
10.1000 2.307011E-02 2.307221E-02 3.928337E+01
10.1500 2.136365E-02 2.276858E-02 3.962304E+01
10.2000 1.715662E-02 2.227042E-02 3.996127E+01
10.2500 1.114832E-02 2.159611E-02 4.029827E+01
10.3000 4.256698E-03 2.076740E-02 4.063427E+01
10.3500 -2.545423E-03 1.980857E-02 4.096956E+01
10.4000 -8.386683E-03 1.874560E-02 4.130455E+01
10.4500 -1.261830E-02 1.760518E-02 4.163982E+01
10.5000 -1.488285E-02 1.641399E-02 4.197614E+01
10.5500 -1.512663E-02 1.519793E-02 4.231460E+01
10.6000 -1.356354E-02 1.398167E-02 4.265668E+01
10.6500 -1.060635E-02 1.278856E-02 4.300433E+01
10.7000 -6.784386E-03 1.164101E-02 4.336013E+01
10.7500 -2.664234E-03 1.056145E-02 4.372728E+01
10.8000 1.215868E-03 9.574022E-03 4.410964E+01
10.8500 4.394022E-03 8.706631E-03 4.451130E+01
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|
