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Cu metal fcc a=3.603 Feff XX 6.10
Abs Z=29 Rmt= 1.289 Rnm= 1.424 K shell
Pot 1 Z=29 Rmt= 1.272 Rnm= 1.392
Gam_ch=1.761E+00 H-L exch
Mu=-5.535E+00 kf=1.806E+00 Vint=-1.796E+01 Rs_int= 2.008
Path 4 icalc 2
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3 48.000 4.3494 2.6300 -5.53502 nleg, deg, reff, rnrmav(bohr), edge
x y z pot at#
.0000 .0000 .0000 0 29 Cu absorbing atom
.0000 .0000 -3.6032 1 29 Cu
.0000 1.8016 -1.8016 1 29 Cu
k real[2*phc] mag[feff] phase[feff] red factor lambda real[p]@#
.000 3.5015E+00 0.0000E+00 -4.4874E+00 9.872E-01 1.5637E+01 1.8071E+00
.100 3.5020E+00 6.0894E-03 -5.3316E+00 9.873E-01 1.5660E+01 1.8098E+00
.200 3.5035E+00 1.1799E-02 -6.1250E+00 9.877E-01 1.5726E+01 1.8177E+00
.300 3.5060E+00 1.6822E-02 -6.8693E+00 9.882E-01 1.5831E+01 1.8309E+00
.400 3.5093E+00 2.0976E-02 -7.5667E+00 9.890E-01 1.5963E+01 1.8491E+00
.500 3.5132E+00 2.4209E-02 -8.2200E+00 9.901E-01 1.6111E+01 1.8724E+00
.600 3.5175E+00 2.6581E-02 -8.8316E+00 9.915E-01 1.6258E+01 1.9005E+00
.700 3.5218E+00 2.8221E-02 -9.4041E+00 9.932E-01 1.6388E+01 1.9332E+00
.800 3.5258E+00 2.9291E-02 -9.9395E+00 9.953E-01 1.6481E+01 1.9704E+00
.900 3.5291E+00 2.9952E-02 -1.0439E+01 9.978E-01 1.6522E+01 2.0119E+00
1.000 3.5311E+00 3.0348E-02 -1.0905E+01 1.001E+00 1.6496E+01 2.0575E+00
1.100 3.5315E+00 3.0597E-02 -1.1339E+01 1.004E+00 1.6396E+01 2.1070E+00
1.200 3.5296E+00 3.0790E-02 -1.1741E+01 1.008E+00 1.6217E+01 2.1605E+00
1.300 3.5247E+00 3.0992E-02 -1.2115E+01 1.013E+00 1.5965E+01 2.2177E+00
1.400 3.5164E+00 3.1240E-02 -1.2461E+01 1.018E+00 1.5649E+01 2.2786E+00
1.500 3.5039E+00 3.1546E-02 -1.2782E+01 1.024E+00 1.5286E+01 2.3431E+00
1.600 3.4866E+00 3.1892E-02 -1.3080E+01 1.030E+00 1.4895E+01 2.4113E+00
1.700 3.4640E+00 3.2233E-02 -1.3357E+01 1.036E+00 1.4497E+01 2.4830E+00
1.800 3.4354E+00 3.2495E-02 -1.3616E+01 1.043E+00 1.4117E+01 2.5584E+00
1.900 3.4002E+00 3.2584E-02 -1.3859E+01 1.048E+00 1.3776E+01 2.6374E+00
2.000 3.3581E+00 3.2390E-02 -1.4087E+01 1.053E+00 1.3497E+01 2.7201E+00
2.200 3.2511E+00 3.0747E-02 -1.4506E+01 1.059E+00 1.3207E+01 2.8970E+00
2.400 3.1362E+00 3.5902E-02 -1.4837E+01 1.230E+00 7.5606E+00 3.0883E+00
2.600 3.1585E+00 3.5215E-02 -1.5478E+01 1.303E+00 6.1535E+00 3.2191E+00
2.800 3.1545E+00 3.1800E-02 -1.6200E+01 1.326E+00 5.6163E+00 3.3579E+00
3.000 3.1151E+00 2.7535E-02 -1.6997E+01 1.321E+00 5.3982E+00 3.5040E+00
3.200 3.0550E+00 2.8275E-02 -1.7936E+01 1.304E+00 5.3389E+00 3.6566E+00
3.400 2.9887E+00 3.5218E-02 -1.8761E+01 1.281E+00 5.3735E+00 3.8150E+00
3.600 2.9054E+00 4.7247E-02 -1.9383E+01 1.256E+00 5.4705E+00 3.9784E+00
3.800 2.8228E+00 6.0477E-02 -1.9864E+01 1.229E+00 5.6121E+00 4.1461E+00
4.000 2.7282E+00 7.3802E-02 -2.0248E+01 1.206E+00 5.7879E+00 4.3177E+00
4.200 2.6390E+00 8.5219E-02 -2.0581E+01 1.179E+00 5.9908E+00 4.4926E+00
4.400 2.5352E+00 9.4534E-02 -2.0862E+01 1.157E+00 6.2162E+00 4.6704E+00
4.600 2.4376E+00 1.0127E-01 -2.1115E+01 1.135E+00 6.4607E+00 4.8506E+00
4.800 2.3422E+00 1.0499E-01 -2.1341E+01 1.115E+00 6.7219E+00 5.0329E+00
5.000 2.2460E+00 1.0600E-01 -2.1560E+01 1.096E+00 6.9979E+00 5.2171E+00
5.200 2.1454E+00 1.0511E-01 -2.1756E+01 1.079E+00 7.2872E+00 5.4030E+00
5.400 2.0492E+00 1.0204E-01 -2.1936E+01 1.064E+00 7.5888E+00 5.5902E+00
5.600 1.9507E+00 9.7311E-02 -2.2116E+01 1.050E+00 7.9017E+00 5.7787E+00
5.800 1.8576E+00 9.1559E-02 -2.2280E+01 1.038E+00 8.2251E+00 5.9682E+00
6.000 1.7615E+00 8.4669E-02 -2.2438E+01 1.027E+00 8.5584E+00 6.1587E+00
6.500 1.5272E+00 6.5499E-02 -2.2826E+01 1.004E+00 9.4317E+00 6.6385E+00
7.000 1.2998E+00 4.6707E-02 -2.3206E+01 9.857E-01 1.0357E+01 7.1222E+00
7.500 1.0824E+00 3.1189E-02 -2.3603E+01 9.708E-01 1.1331E+01 7.6088E+00
8.000 8.7724E-01 2.0195E-02 -2.4035E+01 9.579E-01 1.2348E+01 8.0978E+00
8.500 6.8313E-01 1.3589E-02 -2.4496E+01 9.470E-01 1.3407E+01 8.5885E+00
9.000 4.9775E-01 1.0563E-02 -2.4904E+01 9.381E-01 1.4505E+01 9.0807E+00
9.500 3.2222E-01 9.6292E-03 -2.5178E+01 9.304E-01 1.5641E+01 9.5740E+00
10.000 1.4825E-01 9.8478E-03 -2.5366E+01 9.222E-01 1.6812E+01 1.0068E+01
11.000 -1.7917E-01 1.1129E-02 -2.5721E+01 9.056E-01 1.9258E+01 1.1059E+01
12.000 -4.8336E-01 1.0938E-02 -2.6096E+01 8.938E-01 2.1832E+01 1.2051E+01
13.000 -7.6646E-01 8.8742E-03 -2.6387E+01 8.879E-01 2.4527E+01 1.3045E+01
14.000 -1.0250E+00 7.1754E-03 -2.6474E+01 8.831E-01 2.7338E+01 1.4041E+01
15.000 -1.2653E+00 6.8406E-03 -2.6551E+01 8.801E-01 3.0257E+01 1.5037E+01
16.000 -1.4894E+00 6.5818E-03 -2.6779E+01 8.793E-01 3.3281E+01 1.6034E+01
17.000 -1.6950E+00 5.8112E-03 -2.7028E+01 8.776E-01 3.6404E+01 1.7031E+01
18.000 -1.8893E+00 4.8646E-03 -2.7241E+01 8.772E-01 3.9623E+01 1.8028E+01
19.000 -2.0688E+00 4.1940E-03 -2.7353E+01 8.769E-01 4.2933E+01 1.9026E+01
20.000 -2.2337E+00 4.1983E-03 -2.7586E+01 8.754E-01 4.6332E+01 2.0025E+01
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