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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 10 icalc 2
-----------------------------------------------------------------------
4 24.000 4.7356 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
-0.0000 2.7341 -2.7341 1 92 U
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 1.6721E-05 -1.7692E+01 7.855E-01 4.1470E+00 2.2052E+00
0.100 1.5093E+01 2.8107E-02 -1.8619E+01 7.875E-01 4.1510E+00 2.2073E+00
0.200 1.5097E+01 5.5232E-02 -1.9507E+01 7.934E-01 4.1630E+00 2.2138E+00
0.300 1.5104E+01 8.0458E-02 -2.0357E+01 8.030E-01 4.1828E+00 2.2244E+00
0.400 1.5112E+01 1.0297E-01 -2.1168E+01 8.161E-01 4.2098E+00 2.2393E+00
0.500 1.5123E+01 1.2220E-01 -2.1942E+01 8.323E-01 4.2437E+00 2.2583E+00
0.600 1.5133E+01 1.3774E-01 -2.2680E+01 8.510E-01 4.2836E+00 2.2813E+00
0.700 1.5144E+01 1.4939E-01 -2.3383E+01 8.718E-01 4.3288E+00 2.3082E+00
0.800 1.5154E+01 1.5717E-01 -2.4054E+01 8.941E-01 4.3784E+00 2.3389E+00
0.900 1.5162E+01 1.6128E-01 -2.4694E+01 9.173E-01 4.4314E+00 2.3734E+00
1.000 1.5168E+01 1.6202E-01 -2.5303E+01 9.408E-01 4.4867E+00 2.4115E+00
1.100 1.5170E+01 1.5984E-01 -2.5884E+01 9.643E-01 4.5433E+00 2.4531E+00
1.200 1.5170E+01 1.5518E-01 -2.6438E+01 9.871E-01 4.6001E+00 2.4980E+00
1.300 1.5164E+01 1.4861E-01 -2.6968E+01 1.009E+00 4.6560E+00 2.5463E+00
1.400 1.5155E+01 1.4065E-01 -2.7475E+01 1.030E+00 4.7102E+00 2.5978E+00
1.500 1.5140E+01 1.3165E-01 -2.7960E+01 1.049E+00 4.7619E+00 2.6524E+00
1.600 1.5121E+01 1.2212E-01 -2.8426E+01 1.067E+00 4.8104E+00 2.7101E+00
1.700 1.5096E+01 1.1242E-01 -2.8874E+01 1.084E+00 4.8556E+00 2.7708E+00
1.800 1.5066E+01 1.0293E-01 -2.9305E+01 1.098E+00 4.8974E+00 2.8346E+00
1.900 1.5030E+01 9.3765E-02 -2.9720E+01 1.111E+00 4.9362E+00 2.9013E+00
2.000 1.4989E+01 8.5550E-02 -3.0122E+01 1.122E+00 4.9728E+00 2.9712E+00
2.200 1.4891E+01 7.2298E-02 -3.0884E+01 1.137E+00 5.0452E+00 3.1201E+00
2.400 1.4774E+01 6.3935E-02 -3.1546E+01 1.138E+00 5.1322E+00 3.2823E+00
2.600 1.4581E+01 5.4300E-02 -3.1998E+01 1.149E+00 5.0228E+00 3.4728E+00
2.800 1.4466E+01 6.3918E-02 -3.2833E+01 1.307E+00 4.0494E+00 3.6342E+00
3.000 1.4435E+01 8.1903E-02 -3.3586E+01 1.365E+00 3.7862E+00 3.7663E+00
3.200 1.4394E+01 9.3734E-02 -3.4164E+01 1.392E+00 3.6607E+00 3.9056E+00
3.400 1.4342E+01 9.7548E-02 -3.4618E+01 1.402E+00 3.6180E+00 4.0521E+00
3.600 1.4284E+01 9.2916E-02 -3.4978E+01 1.398E+00 3.6254E+00 4.2037E+00
3.800 1.4220E+01 8.2644E-02 -3.5252E+01 1.385E+00 3.6665E+00 4.3601E+00
4.000 1.4151E+01 6.9629E-02 -3.5450E+01 1.369E+00 3.7321E+00 4.5208E+00
4.200 1.4077E+01 5.7027E-02 -3.5568E+01 1.347E+00 3.8166E+00 4.6854E+00
4.400 1.3997E+01 4.6357E-02 -3.5629E+01 1.324E+00 3.9160E+00 4.8534E+00
4.600 1.3910E+01 3.8032E-02 -3.5646E+01 1.298E+00 4.0277E+00 5.0245E+00
4.800 1.3817E+01 3.1443E-02 -3.5640E+01 1.274E+00 4.1499E+00 5.1983E+00
5.000 1.3719E+01 2.5986E-02 -3.5615E+01 1.247E+00 4.2809E+00 5.3746E+00
5.200 1.3616E+01 2.1386E-02 -3.5572E+01 1.224E+00 4.4197E+00 5.5530E+00
5.400 1.3510E+01 1.7456E-02 -3.5503E+01 1.200E+00 4.5654E+00 5.7334E+00
5.600 1.3401E+01 1.4309E-02 -3.5404E+01 1.179E+00 4.7172E+00 5.9155E+00
5.800 1.3291E+01 1.1927E-02 -3.5263E+01 1.160E+00 4.8746E+00 6.0991E+00
6.000 1.3181E+01 1.0395E-02 -3.5079E+01 1.143E+00 5.0371E+00 6.2841E+00
6.500 1.2906E+01 1.0706E-02 -3.4666E+01 1.107E+00 5.4628E+00 6.7517E+00
7.000 1.2638E+01 1.2657E-02 -3.4641E+01 1.077E+00 5.9126E+00 7.2252E+00
7.500 1.2374E+01 1.3096E-02 -3.4792E+01 1.054E+00 6.3830E+00 7.7032E+00
8.000 1.2116E+01 1.2475E-02 -3.4963E+01 1.035E+00 6.8713E+00 8.1847E+00
8.500 1.1866E+01 1.1197E-02 -3.5129E+01 1.020E+00 7.3755E+00 8.6690E+00
9.000 1.1625E+01 9.6085E-03 -3.5268E+01 1.008E+00 7.8940E+00 9.1556E+00
9.500 1.1392E+01 8.1629E-03 -3.5384E+01 9.973E-01 8.4255E+00 9.6440E+00
10.000 1.1165E+01 6.9983E-03 -3.5495E+01 9.864E-01 8.9690E+00 1.0134E+01
11.000 1.0729E+01 5.1812E-03 -3.5724E+01 9.682E-01 1.0088E+01 1.1117E+01
12.000 1.0317E+01 3.9417E-03 -3.5951E+01 9.555E-01 1.1246E+01 1.2104E+01
13.000 9.9284E+00 2.9859E-03 -3.6103E+01 9.463E-01 1.2438E+01 1.3093E+01
14.000 9.5625E+00 2.6891E-03 -3.6344E+01 9.408E-01 1.3661E+01 1.4085E+01
15.000 9.2181E+00 1.8523E-03 -3.6517E+01 9.369E-01 1.4911E+01 1.5077E+01
16.000 8.8937E+00 2.3121E-03 -3.6663E+01 9.347E-01 1.6187E+01 1.6071E+01
17.000 8.5869E+00 2.2060E-03 -3.7378E+01 9.334E-01 1.7486E+01 1.7066E+01
18.000 8.2960E+00 1.3054E-03 -3.8107E+01 9.330E-01 1.8806E+01 1.8061E+01
19.000 8.0213E+00 2.1553E-04 -3.8416E+01 9.330E-01 2.0146E+01 1.9057E+01
20.000 7.7607E+00 7.7453E-04 -3.6779E+01 9.330E-01 2.1505E+01 2.0054E+01
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