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|
# Uraninite Feff 8.50L
# Wyckoff, R. W. G.
# Second edition. Interscience Publishers, New York, New York
# Fluorite structure
# POT Non-SCF, 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=-6.404E-01 kf=2.192E+00 Vint=-1.895E+01 Rs_int= 1.655
# 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 7.99 24.00 3 3.7349
# 3 0.00000 66.15 12.00 2 3.8666
# 4 0.00000 8.24 24.00 3 4.3011
# 5 0.00000 7.26 48.00 3 4.3011
# 6 0.00000 36.68 24.00 2 4.5340
# 7 0.00000 6.18 8.00 3 4.7356
# 8 0.00000 13.79 8.00 4 4.7356
# 9 0.00000 5.68 8.00 4 4.7356
# 10 0.00000 4.38 24.00 4 4.7356
# 12 0.00000 12.65 48.00 3 4.8179
# 14 0.00000 6.88 96.00 3 5.3842
# 15 0.00000 4.45 96.00 3 5.3842
# 16 0.00000 15.12 96.00 3 5.3842
# 17 0.00000 12.07 6.00 2 5.4682
# 15/ 17 paths used
# -----------------------------------------------------------------------
# k chi mag phase @#
0.0500 2.705808E-01 2.719035E-01 1.472117E+00
0.1000 2.710386E-01 2.721822E-01 1.479092E+00
0.1500 2.723048E-01 2.729896E-01 1.499947E+00
0.2000 2.734356E-01 2.737772E-01 1.520832E+00
0.2500 2.749654E-01 2.749974E-01 1.555544E+00
0.3000 2.761085E-01 2.761612E-01 1.590332E+00
0.3500 2.769719E-01 2.776159E-01 1.638922E+00
0.4000 2.770552E-01 2.789573E-01 1.687641E+00
0.4500 2.758502E-01 2.803271E-01 1.749754E+00
0.5000 2.733489E-01 2.815018E-01 1.812056E+00
0.5500 2.683893E-01 2.824399E-01 1.887547E+00
0.6000 2.615558E-01 2.830792E-01 1.963267E+00
0.6500 2.510287E-01 2.831509E-01 2.051750E+00
0.7000 2.381395E-01 2.828005E-01 2.140472E+00
0.7500 2.205587E-01 2.815231E-01 2.241398E+00
0.8000 2.004538E-01 2.796892E-01 2.342531E+00
0.8500 1.752750E-01 2.765714E-01 2.455211E+00
0.9000 1.480146E-01 2.727642E-01 2.568008E+00
0.9500 1.163298E-01 2.673417E-01 2.691404E+00
1.0000 8.383809E-02 2.611190E-01 2.814731E+00
1.0500 4.876056E-02 2.530149E-01 2.947661E+00
1.1000 1.497594E-02 2.440416E-01 3.080188E+00
1.1500 -1.848813E-02 2.330370E-01 3.221012E+00
1.2000 -4.809602E-02 2.211594E-01 3.360817E+00
1.2500 -7.407536E-02 2.072259E-01 3.507141E+00
1.3000 -9.391728E-02 1.925053E-01 3.651239E+00
1.3500 -1.074807E-01 1.758726E-01 3.799077E+00
1.4000 -1.138642E-01 1.586575E-01 3.942047E+00
1.4500 -1.131132E-01 1.398804E-01 4.083433E+00
1.5000 -1.061502E-01 1.209059E-01 4.213172E+00
1.5500 -9.364434E-02 1.010296E-01 4.327660E+00
1.6000 -7.802597E-02 8.177433E-02 4.408440E+00
1.6500 -6.066327E-02 6.322881E-02 4.426547E+00
1.7000 -4.459551E-02 4.816281E-02 4.325089E+00
1.7500 -3.146527E-02 4.013096E-02 4.042780E+00
1.8000 -2.370089E-02 4.332750E-02 3.720389E+00
1.8500 -2.246042E-02 5.534132E-02 3.559504E+00
1.9000 -2.847039E-02 7.090107E-02 3.554802E+00
1.9500 -4.163183E-02 8.765442E-02 3.636505E+00
2.0000 -6.066798E-02 1.039204E-01 3.764985E+00
2.0500 -8.372012E-02 1.192767E-01 3.919651E+00
2.1000 -1.087303E-01 1.335717E-01 4.092636E+00
2.1500 -1.326787E-01 1.462194E-01 4.278635E+00
2.2000 -1.521589E-01 1.566389E-01 4.472647E+00
2.2500 -1.653294E-01 1.654270E-01 4.678034E+00
2.3000 -1.695633E-01 1.721396E-01 4.885617E+00
2.3500 -1.640868E-01 1.767980E-01 5.093900E+00
2.4000 -1.491974E-01 1.794704E-01 5.301706E+00
2.4500 -1.251396E-01 1.793287E-01 5.510832E+00
2.5000 -9.516624E-02 1.775892E-01 5.717637E+00
2.5500 -6.174034E-02 1.744713E-01 5.921479E+00
2.6000 -2.734815E-02 1.702051E-01 6.121808E+00
2.6500 3.404586E-03 1.670869E-01 6.303563E+00
2.7000 3.257381E-02 1.635419E-01 6.483703E+00
2.7500 5.908567E-02 1.596350E-01 6.662334E+00
2.8000 8.207677E-02 1.554151E-01 6.839563E+00
2.8500 1.032718E-01 1.526105E-01 7.026458E+00
2.9000 1.196880E-01 1.492697E-01 7.213526E+00
2.9500 1.307182E-01 1.454177E-01 7.400473E+00
3.0000 1.360850E-01 1.410837E-01 7.586989E+00
3.0500 1.359676E-01 1.363489E-01 7.779173E+00
3.1000 1.302640E-01 1.311498E-01 7.970272E+00
3.1500 1.197167E-01 1.255440E-01 8.159857E+00
3.2000 1.053259E-01 1.195941E-01 8.347450E+00
3.2500 8.774022E-02 1.132382E-01 8.538333E+00
3.3000 6.861013E-02 1.065947E-01 8.725515E+00
3.3500 4.928617E-02 9.975770E-02 8.908026E+00
3.4000 3.096214E-02 9.283018E-02 9.084727E+00
3.4500 1.451139E-02 8.566137E-02 9.254553E+00
3.5000 8.569293E-04 7.870178E-02 9.413889E+00
3.5500 -9.779462E-03 7.212635E-02 9.560785E+00
3.6000 -1.755485E-02 6.612188E-02 9.693493E+00
3.6500 -2.283124E-02 6.095209E-02 9.808718E+00
3.7000 -2.646308E-02 5.687041E-02 9.908777E+00
3.7500 -2.928382E-02 5.400387E-02 9.997895E+00
3.8000 -3.203163E-02 5.236709E-02 1.008295E+01
3.8500 -3.548087E-02 5.224557E-02 1.017134E+01
3.9000 -3.980577E-02 5.304325E-02 1.027351E+01
3.9500 -4.482420E-02 5.440885E-02 1.039293E+01
4.0000 -5.003825E-02 5.600575E-02 1.052974E+01
4.0500 -5.507359E-02 5.782207E-02 1.068601E+01
4.1000 -5.873344E-02 5.931037E-02 1.085598E+01
4.1500 -6.026184E-02 6.031138E-02 1.103611E+01
4.2000 -5.916663E-02 6.073249E-02 1.122315E+01
4.2500 -5.540163E-02 6.075647E-02 1.141857E+01
4.3000 -4.892386E-02 6.010286E-02 1.161536E+01
4.3500 -4.033547E-02 5.882707E-02 1.181086E+01
4.4000 -3.047436E-02 5.702285E-02 1.200254E+01
4.4500 -2.008559E-02 5.487130E-02 1.219161E+01
4.5000 -1.014408E-02 5.244218E-02 1.237171E+01
4.5500 -1.276299E-03 4.993035E-02 1.254081E+01
4.6000 6.224831E-03 4.754627E-02 1.269767E+01
4.6500 1.250258E-02 4.559350E-02 1.284415E+01
4.7000 1.776600E-02 4.415858E-02 1.298042E+01
4.7500 2.247496E-02 4.337091E-02 1.311112E+01
4.8000 2.707489E-02 4.326742E-02 1.324247E+01
4.8500 3.197699E-02 4.388491E-02 1.338273E+01
4.9000 3.705380E-02 4.496759E-02 1.353483E+01
4.9500 4.198708E-02 4.632097E-02 1.370114E+01
5.0000 4.619541E-02 4.774139E-02 1.388199E+01
5.0500 4.908348E-02 4.916395E-02 1.407995E+01
5.1000 4.971738E-02 5.029814E-02 1.428928E+01
5.1500 4.755982E-02 5.102684E-02 1.450792E+01
5.2000 4.240853E-02 5.126827E-02 1.473388E+01
5.2500 3.439157E-02 5.098107E-02 1.496755E+01
5.3000 2.419442E-02 5.012776E-02 1.520428E+01
5.3500 1.278473E-02 4.872086E-02 1.544245E+01
5.4000 1.286493E-03 4.679563E-02 1.568047E+01
5.4500 -9.276184E-03 4.438592E-02 1.591850E+01
5.5000 -1.786364E-02 4.158248E-02 1.615201E+01
5.5500 -2.392001E-02 3.847793E-02 1.637882E+01
5.6000 -2.730012E-02 3.517739E-02 1.659637E+01
5.6500 -2.819687E-02 3.175956E-02 1.680056E+01
5.7000 -2.721521E-02 2.841831E-02 1.698674E+01
5.7500 -2.509639E-02 2.530378E-02 1.715064E+01
5.8000 -2.257025E-02 2.257135E-02 1.728863E+01
5.8500 -2.026889E-02 2.040444E-02 1.739409E+01
5.9000 -1.858639E-02 1.895547E-02 1.747642E+01
5.9500 -1.758798E-02 1.825239E-02 1.754941E+01
6.0000 -1.709122E-02 1.820144E-02 1.762983E+01
6.0500 -1.695182E-02 1.878118E-02 1.772379E+01
6.1000 -1.662406E-02 1.970298E-02 1.784535E+01
6.1500 -1.568597E-02 2.075970E-02 1.799299E+01
6.2000 -1.384101E-02 2.180122E-02 1.816171E+01
6.2500 -1.096808E-02 2.273378E-02 1.834610E+01
6.3000 -7.126447E-03 2.350809E-02 1.854156E+01
6.3500 -2.524509E-03 2.410622E-02 1.874464E+01
6.4000 2.531241E-03 2.453036E-02 1.895293E+01
6.4500 7.689924E-03 2.479373E-02 1.916491E+01
6.5000 1.259960E-02 2.491321E-02 1.937980E+01
6.5500 1.711061E-02 2.521053E-02 1.959556E+01
6.6000 2.092304E-02 2.542831E-02 1.981592E+01
6.6500 2.374286E-02 2.555600E-02 2.004140E+01
6.7000 2.529482E-02 2.557367E-02 2.027255E+01
6.7500 2.535160E-02 2.545340E-02 2.050982E+01
6.8000 2.377856E-02 2.516202E-02 2.075350E+01
6.8500 2.058587E-02 2.466451E-02 2.100368E+01
6.9000 1.597264E-02 2.392752E-02 2.126025E+01
6.9500 1.034505E-02 2.292267E-02 2.152292E+01
7.0000 4.293779E-03 2.162919E-02 2.179130E+01
7.0500 -1.489868E-03 2.036597E-02 2.206437E+01
7.1000 -6.494000E-03 1.880078E-02 2.234383E+01
7.1500 -1.008928E-02 1.693161E-02 2.262951E+01
7.2000 -1.184181E-02 1.476756E-02 2.292158E+01
7.2500 -1.161843E-02 1.232871E-02 2.322085E+01
7.3000 -9.640680E-03 9.645656E-03 2.352982E+01
7.3500 -6.468528E-03 6.759736E-03 2.385654E+01
7.4000 -2.910099E-03 3.729473E-03 2.423760E+01
7.4500 1.291941E-04 8.370324E-04 2.528771E+01
7.5000 1.829175E-03 2.801503E-03 2.756289E+01
7.5500 1.596825E-03 5.824113E-03 2.799660E+01
7.6000 -5.994993E-04 8.843880E-03 2.834217E+01
7.6500 -4.517529E-03 1.178374E-02 2.866778E+01
7.7000 -9.528162E-03 1.458797E-02 2.898607E+01
7.7500 -1.472212E-02 1.720732E-02 2.930099E+01
7.8000 -1.907722E-02 1.959820E-02 2.961404E+01
7.8500 -2.165268E-02 2.172340E-02 2.992584E+01
7.9000 -2.177088E-02 2.355302E-02 3.023664E+01
7.9500 -1.914912E-02 2.506514E-02 3.054648E+01
8.0000 -1.395548E-02 2.624637E-02 3.085531E+01
8.0500 -6.785355E-03 2.707746E-02 3.116264E+01
8.1000 1.454562E-03 2.760207E-02 3.146865E+01
8.1500 9.732450E-03 2.782800E-02 3.177322E+01
8.2000 1.703228E-02 2.777018E-02 3.207620E+01
8.2500 2.251096E-02 2.745004E-02 3.237746E+01
8.3000 2.561425E-02 2.689463E-02 3.267692E+01
8.3500 2.613340E-02 2.613534E-02 3.297455E+01
8.4000 2.419840E-02 2.520633E-02 3.327047E+01
8.4500 2.021803E-02 2.414277E-02 3.356494E+01
8.5000 1.478655E-02 2.297890E-02 3.385848E+01
8.5500 8.595050E-03 2.177936E-02 3.415184E+01
8.6000 2.280681E-03 2.053284E-02 3.444621E+01
8.6500 -3.549939E-03 1.925511E-02 3.474294E+01
8.7000 -8.391332E-03 1.795789E-02 3.504373E+01
8.7500 -1.186453E-02 1.664975E-02 3.535071E+01
8.8000 -1.373152E-02 1.533769E-02 3.566658E+01
8.8500 -1.390480E-02 1.402974E-02 3.599476E+01
8.9000 -1.245513E-02 1.273864E-02 3.633969E+01
8.9500 -9.616119E-03 1.148708E-02 3.670711E+01
9.0000 -5.779991E-03 1.031472E-02 3.710429E+01
9.0500 -1.492835E-03 9.273407E-03 3.753743E+01
9.1000 2.624791E-03 8.450134E-03 3.801496E+01
9.1500 5.913504E-03 7.964857E-03 3.853583E+01
9.2000 7.789441E-03 7.927414E-03 3.908306E+01
9.2500 7.850271E-03 8.377247E-03 3.962649E+01
9.3000 5.966255E-03 9.257851E-03 4.014040E+01
9.3500 2.333835E-03 1.045554E-02 4.061559E+01
9.4000 -2.525661E-03 1.185157E-02 4.105546E+01
9.4500 -7.829496E-03 1.334643E-02 4.146760E+01
9.5000 -1.265324E-02 1.486224E-02 4.185929E+01
9.5500 -1.610877E-02 1.635050E-02 4.223933E+01
9.6000 -1.741512E-02 1.775807E-02 4.260835E+01
9.6500 -1.615906E-02 1.904467E-02 4.296919E+01
9.7000 -1.234669E-02 2.017793E-02 4.332385E+01
9.7500 -6.417494E-03 2.113249E-02 4.367375E+01
9.8000 8.224217E-04 2.188951E-02 4.401988E+01
9.8500 8.335889E-03 2.243647E-02 4.436296E+01
9.9000 1.503264E-02 2.276691E-02 4.470349E+01
9.9500 1.995482E-02 2.288019E-02 4.504186E+01
10.0000 2.243424E-02 2.278119E-02 4.537834E+01
10.0500 2.224809E-02 2.254661E-02 4.571600E+01
10.1000 1.942240E-02 2.211862E-02 4.605201E+01
10.1500 1.446418E-02 2.151374E-02 4.638655E+01
10.2000 8.158961E-03 2.075202E-02 4.671982E+01
10.2500 1.424712E-03 1.985613E-02 4.705208E+01
10.3000 -4.841986E-03 1.885063E-02 4.738366E+01
10.3500 -9.898662E-03 1.776103E-02 4.771505E+01
10.4000 -1.324753E-02 1.661294E-02 4.804690E+01
10.4500 -1.467426E-02 1.543141E-02 4.838013E+01
10.5000 -1.423703E-02 1.424026E-02 4.871600E+01
10.5500 -1.221766E-02 1.306189E-02 4.905619E+01
10.6000 -9.051188E-03 1.191733E-02 4.940294E+01
10.6500 -5.250905E-03 1.082700E-02 4.975914E+01
10.7000 -1.341325E-03 9.811960E-03 5.012835E+01
10.7500 2.194188E-03 8.895947E-03 5.051470E+01
10.8000 4.950878E-03 8.107498E-03 5.092237E+01
10.8500 6.628862E-03 7.481177E-03 5.135428E+01
10.9000 7.052986E-03 7.055417E-03 5.181003E+01
10.9500 6.189066E-03 6.864542E-03 5.228362E+01
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|
