-------------------- # Delta-factor of Delta-in.txt with respect to WIEN2k.txt (in meV/atom) # (71 elements of 71 included) # calculated with calcDelta.py version 2.0 -------------------- H 0.129 He 0.430 Li 0.864 Be 1.715 B 0.559 C 0.086 N 7.820 O 4.526 F 0.311 Ne 0.068 Na 0.266 Mg 1.362 Al 2.486 Si 0.544 P 2.597 S 2.183 Cl 0.152 Ar 2.022 K 0.160 Ca 0.072 Sc 0.139 Ti 1.883 V 2.611 Cr 0.980 Mn 3.061 Fe 1.252 Co 0.981 Ni 1.171 Cu 1.172 Zn 0.370 Ga 1.295 Ge 0.364 As 3.887 Se 5.706 Br 0.561 Kr 0.045 Rb 0.324 Sr 0.486 Y 0.593 Zr 0.455 Nb 1.053 Mo 0.344 Tc 3.693 Ru 3.309 Rh 3.273 Pd 4.000 Ag 2.814 Cd 3.535 In 0.537 Sn 0.464 Sb 2.390 Te 1.641 I 2.253 Xe 0.220 Cs 0.496 Ba 1.026 Lu 0.271 Hf 3.451 Ta 2.634 W 1.514 Re 3.546 Os 4.364 Ir 3.176 Pt 3.699 Au 2.219 Hg 0.339 Tl 0.212 Pb 0.217 Bi 1.100 Po 0.112 Rn 0.185 -------------------- np.mean 1.602 np.std 1.573 np.max 7.820 (N) np.min 0.045 (Kr) --------------------