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Copper example Feff 6L.02 potph 4.12
Abs Z=29 Rmt= 1.291 Rnm= 1.427 K shell
Pot 1 Z=29 Rmt= 1.275 Rnm= 1.395
Gam_ch=1.761E+00 H-L exch
Mu=-5.515E+00 kf=1.799E+00 Vint=-1.785E+01 Rs_int= 2.016
Path 4 icalc 2 Feff 6L.02 genfmt 1.44
-------------------------------------------------------------------------------
3 48.000 4.3577 2.6370 -5.51473 nleg, deg, reff, rnrmav(bohr), edge
x y z pot at#
0.0000 0.0000 0.0000 0 29 Cu absorbing atom
-3.6100 0.0000 0.0000 1 29 Cu
-1.8050 -1.8050 0.0000 1 29 Cu
k real[2*phc] mag[feff] phase[feff] red factor lambda real[p]@#
0.000 3.5093E+00 0.0000E+00 -4.5157E+00 0.9867E+00 1.5577E+01 1.8002E+00
0.200 3.5115E+00 1.1705E-02 -6.1562E+00 0.9872E+00 1.5667E+01 1.8108E+00
0.400 3.5175E+00 2.0788E-02 -7.5998E+00 0.9886E+00 1.5905E+01 1.8424E+00
0.600 3.5261E+00 2.6303E-02 -8.8657E+00 0.9911E+00 1.6201E+01 1.8939E+00
0.800 3.5348E+00 2.8941E-02 -9.9733E+00 0.9950E+00 1.6424E+01 1.9641E+00
1.000 3.5406E+00 2.9948E-02 -1.0937E+01 0.1001E+01 1.6438E+01 2.0514E+00
1.200 3.5394E+00 3.0371E-02 -1.1770E+01 0.1008E+01 1.6157E+01 2.1548E+00
1.400 3.5263E+00 3.0841E-02 -1.2485E+01 0.1018E+01 1.5589E+01 2.2733E+00
1.600 3.4964E+00 3.1555E-02 -1.3099E+01 0.1030E+01 1.4836E+01 2.4064E+00
1.800 3.4445E+00 3.2252E-02 -1.3630E+01 0.1043E+01 1.4064E+01 2.5540E+00
2.000 3.3663E+00 3.2245E-02 -1.4097E+01 0.1054E+01 1.3454E+01 2.7163E+00
2.200 3.2580E+00 3.0676E-02 -1.4512E+01 0.1059E+01 1.3181E+01 2.8938E+00
2.400 3.1482E+00 3.6183E-02 -1.4845E+01 0.1235E+01 7.4666E+00 3.0831E+00
2.600 3.1696E+00 3.5398E-02 -1.5482E+01 0.1306E+01 6.1155E+00 3.2143E+00
2.800 3.1646E+00 3.1897E-02 -1.6201E+01 0.1328E+01 5.5966E+00 3.3533E+00
3.000 3.1246E+00 2.7437E-02 -1.6994E+01 0.1322E+01 5.3873E+00 3.4997E+00
3.200 3.0636E+00 2.7965E-02 -1.7942E+01 0.1305E+01 5.3334E+00 3.6525E+00
3.400 2.9969E+00 3.4785E-02 -1.8770E+01 0.1281E+01 5.3719E+00 3.8111E+00
3.600 2.9127E+00 4.6895E-02 -1.9397E+01 0.1255E+01 5.4718E+00 3.9747E+00
3.800 2.8299E+00 6.0079E-02 -1.9877E+01 0.1229E+01 5.6159E+00 4.1427E+00
4.000 2.7346E+00 7.3465E-02 -2.0262E+01 0.1205E+01 5.7938E+00 4.3145E+00
4.200 2.6454E+00 8.4858E-02 -2.0595E+01 0.1178E+01 5.9986E+00 4.4896E+00
4.400 2.5412E+00 9.4167E-02 -2.0875E+01 0.1156E+01 6.2259E+00 4.6675E+00
4.600 2.4432E+00 1.0084E-01 -2.1128E+01 0.1133E+01 6.4721E+00 4.8478E+00
4.800 2.3478E+00 1.0462E-01 -2.1353E+01 0.1113E+01 6.7350E+00 5.0303E+00
5.000 2.2513E+00 1.0560E-01 -2.1571E+01 0.1094E+01 7.0126E+00 5.2147E+00
5.200 2.1506E+00 1.0464E-01 -2.1767E+01 0.1077E+01 7.3036E+00 5.4006E+00
5.400 2.0541E+00 1.0163E-01 -2.1947E+01 0.1063E+01 7.6068E+00 5.5880E+00
5.600 1.9555E+00 9.6894E-02 -2.2127E+01 0.1049E+01 7.9212E+00 5.7765E+00
5.800 1.8623E+00 9.1110E-02 -2.2290E+01 0.1036E+01 8.2462E+00 5.9662E+00
6.000 1.7659E+00 8.4261E-02 -2.2448E+01 0.1025E+01 8.5811E+00 6.1568E+00
6.500 1.5312E+00 6.5112E-02 -2.2835E+01 0.1002E+01 9.4584E+00 6.6367E+00
7.000 1.3032E+00 4.6385E-02 -2.3215E+01 0.9842E+00 1.0388E+01 7.1206E+00
7.500 1.0856E+00 3.0941E-02 -2.3611E+01 0.9692E+00 1.1365E+01 7.6074E+00
8.000 8.8026E-01 2.0005E-02 -2.4042E+01 0.9562E+00 1.2387E+01 8.0965E+00
8.500 6.8601E-01 1.3427E-02 -2.4501E+01 0.9452E+00 1.3450E+01 8.5873E+00
9.000 5.0042E-01 1.0440E-02 -2.4906E+01 0.9362E+00 1.4552E+01 9.0795E+00
9.500 3.2467E-01 9.5385E-03 -2.5177E+01 0.9285E+00 1.5692E+01 9.5729E+00
10.000 1.5053E-01 9.7925E-03 -2.5363E+01 0.9204E+00 1.6868E+01 1.0067E+01
11.000 -1.7700E-01 1.1111E-02 -2.5723E+01 0.9036E+00 1.9323E+01 1.1058E+01
12.000 -4.8138E-01 1.0906E-02 -2.6102E+01 0.8915E+00 2.1906E+01 1.2051E+01
13.000 -7.6465E-01 8.8042E-03 -2.6394E+01 0.8857E+00 2.4612E+01 1.3045E+01
14.000 -1.0232E+00 7.1010E-03 -2.6476E+01 0.8807E+00 2.7432E+01 1.4040E+01
15.000 -1.2637E+00 6.7929E-03 -2.6551E+01 0.8776E+00 3.0362E+01 1.5036E+01
16.000 -1.4878E+00 6.5428E-03 -2.6782E+01 0.8768E+00 3.3396E+01 1.6033E+01
17.000 -1.6934E+00 5.7630E-03 -2.7032E+01 0.8750E+00 3.6529E+01 1.7030E+01
18.000 -1.8878E+00 4.8103E-03 -2.7243E+01 0.8747E+00 3.9759E+01 1.8028E+01
19.000 -2.0671E+00 4.1573E-03 -2.7351E+01 0.8744E+00 4.3080E+01 1.9026E+01
20.000 -2.2318E+00 4.1738E-03 -2.7588E+01 0.8729E+00 4.6490E+01 2.0024E+01
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