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WIEN2k.txt
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WIEN2k.txt
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# WIEN2k version 13.1, calcDelta package version 3.0
H 17.3883 10.284 2.71
He 17.7708 0.847 7.71
Li 20.2191 13.839 3.34
Be 7.9099 122.903 3.04
B 7.2405 237.290 3.47
C 11.6366 208.991 3.58
N 28.8848 54.2195 3.7244
O 18.5590 51.378 3.89
F 19.1666 34.325 3.93
Ne 24.2492 1.406 14.44
Na 37.4686 7.472 3.77
Mg 22.9355 35.933 4.07
Al 16.4796 78.077 4.57
Si 20.4530 88.545 4.31
P 21.4709 68.208 4.35
S 17.1840 83.407 4.26
Cl 38.8889 19.081 4.34
Ar 52.3852 0.743 7.26
K 73.6793 3.574 4.59
Ca 42.1991 17.114 3.31
Sc 24.6196 54.393 3.42
Ti 17.3900 112.213 3.58
V 13.4520 181.674 3.75
Cr 11.7730 183.899 7.16
Mn 11.4473 118.632 -0.21
Fe 11.3436 197.652 5.80
Co 10.8599 217.295 4.37
Ni 10.8876 200.368 5.00
Cu 11.9511 141.335 4.86
Zn 15.1820 74.780 5.26
Ga 20.3069 49.223 5.38
Ge 23.9148 59.128 4.99
As 22.5890 68.285 4.22
Se 29.7437 47.070 4.44
Br 39.4470 22.415 4.87
Kr 65.6576 0.671 9.86
Rb 90.8087 2.787 5.80
Sr 54.5272 11.256 3.49
Y 32.8442 41.593 3.02
Zr 23.3850 93.684 3.21
Nb 18.1368 171.270 3.55
Mo 15.7862 258.928 4.33
Tc 14.4366 299.149 4.46
Ru 13.7619 312.502 4.95
Rh 14.0396 257.824 5.32
Pd 15.3101 168.629 5.56
Ag 17.8471 90.148 5.42
Cd 22.6287 46.403 6.92
In 27.4710 34.937 4.78
Sn 36.8166 36.030 4.64
Sb 31.7296 50.367 4.52
Te 34.9765 44.787 4.69
I 50.2333 18.654 5.05
Xe 86.6814 0.548 6.34
Cs 117.080 1.982 2.14
Ba 63.1401 8.677 3.77
Lu 29.0544 46.384 2.94
Hf 22.5325 107.004 3.50
Ta 18.2856 195.147 3.71
W 16.1394 301.622 4.28
Re 14.9580 362.850 4.52
Os 14.2802 397.259 4.84
Ir 14.5004 347.680 5.18
Pt 15.6420 248.711 5.46
Au 17.9745 139.109 5.76
Hg 29.5220 8.204 8.87
Tl 31.3902 26.865 5.49
Pb 32.0028 39.544 4.53
Bi 36.9047 42.630 4.70
Po 37.5869 45.458 4.93
Rn 92.6852 0.564 8.62