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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%
Path 1 icalc 2
-----------------------------------------------------------------------
2 8.000 2.3678 2.5893 -0.64041 nleg, deg, reff, rnrmav(bohr), edge
x y z pot at#
-0.0000 -0.0000 -0.0000 0 92 U absorbing atom
-1.3671 -1.3671 -1.3671 2 8 O
k real[2*phc] mag[feff] phase[feff] red factor lambda real[p]@#
0.000 1.5091E+01 2.9596E-05 -1.3602E+01 7.855E-01 4.1470E+00 2.2052E+00
0.100 1.5093E+01 4.9911E-02 -1.4068E+01 7.875E-01 4.1510E+00 2.2073E+00
0.200 1.5097E+01 9.9033E-02 -1.4518E+01 7.934E-01 4.1630E+00 2.2138E+00
0.300 1.5104E+01 1.4663E-01 -1.4952E+01 8.030E-01 4.1828E+00 2.2244E+00
0.400 1.5112E+01 1.9211E-01 -1.5370E+01 8.161E-01 4.2098E+00 2.2393E+00
0.500 1.5123E+01 2.3488E-01 -1.5773E+01 8.323E-01 4.2437E+00 2.2583E+00
0.600 1.5133E+01 2.7463E-01 -1.6160E+01 8.510E-01 4.2836E+00 2.2813E+00
0.700 1.5144E+01 3.1114E-01 -1.6531E+01 8.718E-01 4.3288E+00 2.3082E+00
0.800 1.5154E+01 3.4435E-01 -1.6886E+01 8.941E-01 4.3784E+00 2.3389E+00
0.900 1.5162E+01 3.7431E-01 -1.7225E+01 9.173E-01 4.4314E+00 2.3734E+00
1.000 1.5168E+01 4.0116E-01 -1.7548E+01 9.408E-01 4.4867E+00 2.4115E+00
1.100 1.5170E+01 4.2508E-01 -1.7856E+01 9.643E-01 4.5433E+00 2.4531E+00
1.200 1.5170E+01 4.4631E-01 -1.8148E+01 9.871E-01 4.6001E+00 2.4980E+00
1.300 1.5164E+01 4.6512E-01 -1.8426E+01 1.009E+00 4.6560E+00 2.5463E+00
1.400 1.5155E+01 4.8176E-01 -1.8688E+01 1.030E+00 4.7102E+00 2.5978E+00
1.500 1.5140E+01 4.9643E-01 -1.8935E+01 1.049E+00 4.7619E+00 2.6524E+00
1.600 1.5121E+01 5.0939E-01 -1.9168E+01 1.067E+00 4.8104E+00 2.7101E+00
1.700 1.5096E+01 5.2078E-01 -1.9386E+01 1.084E+00 4.8556E+00 2.7708E+00
1.800 1.5066E+01 5.3074E-01 -1.9590E+01 1.098E+00 4.8974E+00 2.8346E+00
1.900 1.5030E+01 5.3937E-01 -1.9779E+01 1.111E+00 4.9362E+00 2.9013E+00
2.000 1.4989E+01 5.4670E-01 -1.9953E+01 1.122E+00 4.9728E+00 2.9712E+00
2.200 1.4891E+01 5.5733E-01 -2.0260E+01 1.137E+00 5.0452E+00 3.1201E+00
2.400 1.4774E+01 5.6231E-01 -2.0498E+01 1.138E+00 5.1322E+00 3.2823E+00
2.600 1.4581E+01 5.5917E-01 -2.0637E+01 1.149E+00 5.0228E+00 3.4728E+00
2.800 1.4466E+01 6.1518E-01 -2.0880E+01 1.307E+00 4.0494E+00 3.6342E+00
3.000 1.4435E+01 6.3527E-01 -2.1177E+01 1.365E+00 3.7862E+00 3.7663E+00
3.200 1.4394E+01 6.3776E-01 -2.1455E+01 1.392E+00 3.6607E+00 3.9056E+00
3.400 1.4342E+01 6.2837E-01 -2.1710E+01 1.402E+00 3.6180E+00 4.0521E+00
3.600 1.4284E+01 6.0931E-01 -2.1950E+01 1.398E+00 3.6254E+00 4.2037E+00
3.800 1.4220E+01 5.8361E-01 -2.2172E+01 1.385E+00 3.6665E+00 4.3601E+00
4.000 1.4151E+01 5.5395E-01 -2.2383E+01 1.369E+00 3.7321E+00 4.5208E+00
4.200 1.4077E+01 5.2125E-01 -2.2580E+01 1.347E+00 3.8166E+00 4.6854E+00
4.400 1.3997E+01 4.8789E-01 -2.2768E+01 1.324E+00 3.9160E+00 4.8534E+00
4.600 1.3910E+01 4.5491E-01 -2.2943E+01 1.298E+00 4.0277E+00 5.0245E+00
4.800 1.3817E+01 4.2256E-01 -2.3108E+01 1.274E+00 4.1499E+00 5.1983E+00
5.000 1.3719E+01 3.9197E-01 -2.3264E+01 1.247E+00 4.2809E+00 5.3746E+00
5.200 1.3616E+01 3.6322E-01 -2.3408E+01 1.224E+00 4.4197E+00 5.5530E+00
5.400 1.3510E+01 3.3639E-01 -2.3544E+01 1.200E+00 4.5654E+00 5.7334E+00
5.600 1.3401E+01 3.1135E-01 -2.3671E+01 1.179E+00 4.7172E+00 5.9155E+00
5.800 1.3291E+01 2.8820E-01 -2.3791E+01 1.160E+00 4.8746E+00 6.0991E+00
6.000 1.3181E+01 2.6706E-01 -2.3904E+01 1.143E+00 5.0371E+00 6.2841E+00
6.500 1.2906E+01 2.2242E-01 -2.4168E+01 1.107E+00 5.4628E+00 6.7517E+00
7.000 1.2638E+01 1.8817E-01 -2.4413E+01 1.077E+00 5.9126E+00 7.2252E+00
7.500 1.2374E+01 1.6209E-01 -2.4647E+01 1.054E+00 6.3830E+00 7.7032E+00
8.000 1.2116E+01 1.4153E-01 -2.4868E+01 1.035E+00 6.8713E+00 8.1847E+00
8.500 1.1866E+01 1.2399E-01 -2.5067E+01 1.020E+00 7.3755E+00 8.6690E+00
9.000 1.1625E+01 1.0833E-01 -2.5242E+01 1.008E+00 7.8940E+00 9.1556E+00
9.500 1.1392E+01 9.4902E-02 -2.5402E+01 9.973E-01 8.4255E+00 9.6440E+00
10.000 1.1165E+01 8.4265E-02 -2.5558E+01 9.864E-01 8.9690E+00 1.0134E+01
11.000 1.0729E+01 6.9479E-02 -2.5859E+01 9.682E-01 1.0088E+01 1.1117E+01
12.000 1.0317E+01 5.7063E-02 -2.6116E+01 9.555E-01 1.1246E+01 1.2104E+01
13.000 9.9284E+00 4.6798E-02 -2.6345E+01 9.463E-01 1.2438E+01 1.3093E+01
14.000 9.5625E+00 4.0607E-02 -2.6560E+01 9.408E-01 1.3661E+01 1.4085E+01
15.000 9.2181E+00 3.4333E-02 -2.6755E+01 9.369E-01 1.4911E+01 1.5077E+01
16.000 8.8937E+00 2.8236E-02 -2.6902E+01 9.347E-01 1.6187E+01 1.6071E+01
17.000 8.5869E+00 2.4630E-02 -2.6970E+01 9.334E-01 1.7486E+01 1.7066E+01
18.000 8.2960E+00 2.2443E-02 -2.6994E+01 9.330E-01 1.8806E+01 1.8061E+01
19.000 8.0213E+00 2.1147E-02 -2.7023E+01 9.330E-01 2.0146E+01 1.9057E+01
20.000 7.7607E+00 2.1355E-02 -2.7055E+01 9.330E-01 2.1505E+01 2.0054E+01
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