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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%
Path 10 icalc 2
-----------------------------------------------------------------------
4 24.000 4.7356 2.5893 -8.11371 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 1.6093E+01 2.1633E-04 -1.6950E+01 3.838E-01 3.1417E+00 1.6706E+00
0.100 1.6090E+01 8.4134E-02 -1.7863E+01 3.894E-01 3.1469E+00 1.6734E+00
0.200 1.6082E+01 1.6679E-01 -1.8717E+01 4.062E-01 3.1624E+00 1.6817E+00
0.300 1.6069E+01 2.4627E-01 -1.9511E+01 4.337E-01 3.1879E+00 1.6954E+00
0.400 1.6057E+01 3.2062E-01 -2.0247E+01 4.714E-01 3.2230E+00 1.7144E+00
0.500 1.6045E+01 3.8785E-01 -2.0929E+01 5.182E-01 3.2671E+00 1.7387E+00
0.600 1.6036E+01 4.4599E-01 -2.1558E+01 5.724E-01 3.3193E+00 1.7679E+00
0.700 1.6030E+01 4.9329E-01 -2.2134E+01 6.322E-01 3.3787E+00 1.8020E+00
0.800 1.6025E+01 5.2775E-01 -2.2663E+01 6.954E-01 3.4443E+00 1.8407E+00
0.900 1.6022E+01 5.4758E-01 -2.3149E+01 7.595E-01 3.5150E+00 1.8838E+00
1.000 1.6018E+01 5.5214E-01 -2.3594E+01 8.224E-01 3.5896E+00 1.9311E+00
1.100 1.6011E+01 5.4168E-01 -2.4008E+01 8.821E-01 3.6667E+00 1.9824E+00
1.200 1.6001E+01 5.1872E-01 -2.4394E+01 9.373E-01 3.7452E+00 2.0375E+00
1.300 1.5986E+01 4.8638E-01 -2.4759E+01 9.868E-01 3.8239E+00 2.0961E+00
1.400 1.5966E+01 4.4853E-01 -2.5106E+01 1.030E+00 3.9017E+00 2.1582E+00
1.500 1.5938E+01 4.0772E-01 -2.5437E+01 1.068E+00 3.9777E+00 2.2237E+00
1.600 1.5905E+01 3.6662E-01 -2.5754E+01 1.100E+00 4.0511E+00 2.2923E+00
1.700 1.5864E+01 3.2619E-01 -2.6056E+01 1.126E+00 4.1216E+00 2.3641E+00
1.800 1.5816E+01 2.8770E-01 -2.6344E+01 1.147E+00 4.1892E+00 2.4389E+00
1.900 1.5762E+01 2.5192E-01 -2.6616E+01 1.164E+00 4.2541E+00 2.5168E+00
2.000 1.5702E+01 2.1938E-01 -2.6874E+01 1.177E+00 4.3173E+00 2.5979E+00
2.200 1.5563E+01 1.6457E-01 -2.7336E+01 1.188E+00 4.4448E+00 2.7694E+00
2.400 1.5383E+01 1.1682E-01 -2.7664E+01 1.180E+00 4.5960E+00 2.9592E+00
2.600 1.5161E+01 8.6983E-02 -2.8039E+01 1.294E+00 3.9893E+00 3.1683E+00
2.800 1.5078E+01 8.1780E-02 -2.8920E+01 1.395E+00 3.5622E+00 3.3230E+00
3.000 1.5033E+01 9.6290E-02 -2.9762E+01 1.437E+00 3.4058E+00 3.4652E+00
3.200 1.4970E+01 1.1101E-01 -3.0365E+01 1.451E+00 3.3495E+00 3.6180E+00
3.400 1.4903E+01 1.1988E-01 -3.0814E+01 1.449E+00 3.3529E+00 3.7760E+00
3.600 1.4832E+01 1.1897E-01 -3.1151E+01 1.436E+00 3.3943E+00 3.9387E+00
3.800 1.4756E+01 1.0930E-01 -3.1401E+01 1.419E+00 3.4623E+00 4.1056E+00
4.000 1.4676E+01 9.3282E-02 -3.1570E+01 1.398E+00 3.5503E+00 4.2763E+00
4.200 1.4590E+01 7.5870E-02 -3.1667E+01 1.373E+00 3.6538E+00 4.4503E+00
4.400 1.4497E+01 5.9895E-02 -3.1697E+01 1.348E+00 3.7701E+00 4.6273E+00
4.600 1.4397E+01 4.7246E-02 -3.1672E+01 1.319E+00 3.8969E+00 4.8068E+00
4.800 1.4289E+01 3.7589E-02 -3.1607E+01 1.292E+00 4.0328E+00 4.9886E+00
5.000 1.4176E+01 3.0238E-02 -3.1524E+01 1.262E+00 4.1765E+00 5.1724E+00
5.200 1.4058E+01 2.4373E-02 -3.1420E+01 1.236E+00 4.3272E+00 5.3579E+00
5.400 1.3937E+01 1.9631E-02 -3.1302E+01 1.209E+00 4.4840E+00 5.5450E+00
5.600 1.3815E+01 1.5853E-02 -3.1157E+01 1.185E+00 4.6463E+00 5.7334E+00
5.800 1.3693E+01 1.2895E-02 -3.0991E+01 1.164E+00 4.8137E+00 5.9230E+00
6.000 1.3572E+01 1.0641E-02 -3.0786E+01 1.145E+00 4.9858E+00 6.1136E+00
6.500 1.3275E+01 9.0055E-03 -3.0139E+01 1.107E+00 5.4339E+00 6.5938E+00
7.000 1.2985E+01 1.1168E-02 -2.9863E+01 1.078E+00 5.9043E+00 7.0784E+00
7.500 1.2699E+01 1.2136E-02 -2.9884E+01 1.054E+00 6.3940E+00 7.5660E+00
8.000 1.2421E+01 1.1962E-02 -2.9956E+01 1.034E+00 6.9007E+00 8.0561E+00
8.500 1.2156E+01 1.1031E-02 -3.0048E+01 1.018E+00 7.4223E+00 8.5480E+00
9.000 1.1902E+01 9.5301E-03 -3.0124E+01 1.006E+00 7.9576E+00 9.0414E+00
9.500 1.1656E+01 8.0985E-03 -3.0179E+01 9.957E-01 8.5054E+00 9.5358E+00
10.000 1.1416E+01 6.9765E-03 -3.0233E+01 9.846E-01 9.0646E+00 1.0031E+01
11.000 1.0960E+01 5.2073E-03 -3.0366E+01 9.662E-01 1.0214E+01 1.1024E+01
12.000 1.0530E+01 4.0265E-03 -3.0514E+01 9.540E-01 1.1401E+01 1.2019E+01
13.000 1.0126E+01 3.0107E-03 -3.0626E+01 9.446E-01 1.2621E+01 1.3015E+01
14.000 9.7472E+00 2.7778E-03 -3.0784E+01 9.393E-01 1.3871E+01 1.4012E+01
15.000 9.3910E+00 1.8278E-03 -3.1019E+01 9.354E-01 1.5147E+01 1.5009E+01
16.000 9.0568E+00 2.1387E-03 -3.0954E+01 9.334E-01 1.6448E+01 1.6007E+01
17.000 8.7408E+00 2.2245E-03 -3.1578E+01 9.321E-01 1.7771E+01 1.7006E+01
18.000 8.4420E+00 1.4797E-03 -3.2228E+01 9.319E-01 1.9116E+01 1.8005E+01
19.000 8.1600E+00 5.1071E-04 -3.2633E+01 9.319E-01 2.0479E+01 1.9004E+01
20.000 7.8928E+00 5.2476E-04 -3.1251E+01 9.320E-01 2.1861E+01 2.0003E+01
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