Osmium Basis-Sets:
276 8 INPUT 16. 0 2 2 2 1 0 13.875754 885.405719 0 6.937877 25.967040 0 10.193793 320.083902 0 5.096896 26.148765 0 7.099238 115.044843 0 3.549619 13.622575 0 2.767075 18.909457 0 0 0 3 2.0 1.0 15.2867360 -1.0664147 12.7006380 1.8430761 5.6872950 -1.7059002 0 0 1 2.0 1.0 1.1180870 1.0 0 0 1 0.0 1.0 0.5207330 1.0 0 2 2 6.0 1.0 7.9362790 1.4190452 6.3036410 -2.3624495 0 2 2 0.0 1.0 1.9703230 0.2064020 1.0205470 0.8142959 0 2 1 0.0 1.0 0.4005930 1.0 0 3 4 6.0 1.0 3.5808150 -0.4670808 3.1961650 0.4794806 1.1058250 0.4649147 0.4360320 0.5893576 0 4 1 0.0 1.0 1.0670000 1.0 used in: J. Schoenes, A.-M. Racu, K. Doll, Z. Bukowski, J. Karpinski, Phys. Rev. B 77, 134515 (2008) good for Os when positively charged
276 11 INPUT 16. 0 2 4 4 2 2 13.002001 424.390376 0 6.962763 57.122503 0 10.498941 88.279003 0 9.992523 176.486064 0 6.588248 11.715012 0 5.037167 22.915006 0 7.083441 44.777708 0 6.721179 67.153648 0 3.794626 5.550387 0 3.748125 8.220104 0 2.826276 8.328332 0 2.781198 11.103102 0 4.496981 -9.181343 0 4.467738 -11.361604 0 0 0 3 2 1.0 30.0000000000 0.322130048040 27.0000000000 -0.479229181370 13.5247300050 0.474659468370 0 0 1 2 1.0 5.07180090000 1.000000000000 0 0 1 0 1.0 1.01689660000 1.000000000000 0 0 1 0 1.0 0.15681750000 1.000000000000 0 2 4 6 1.0 15.5000000000 0.160164633760 14.0000000000 -0.232015204020 5.54582904200 0.297725872740 1.41395022150 -0.542532381760 0 2 1 0 1.0 1.02881280000 1.000000000000 0 2 1 0 1.0 0.39942220000 1.000000000000 0 3 4 6 1.0 8.29450594870 0.069648222110 6.30603974300 -0.164442296300 1.48901091100 0.551545410330 0.67315390607 0.884613702910 0 3 1 0 1.0 0.41898000000 1.000000000000 0 3 1 0 1.0 0.20060820000 1.000000000000 0 4 1 0 1.0 0.55065000000 1.000000000000 J. Laun, T. Bredow "BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the sixth period for solid-state calculations", J. Comput. Chem. (2021) https://doi.org/10.1002/jcc.26521
276 11 STUTSC 0 0 3 2 1.0 30.0000000000 0.322130048040 27.0000000000 -0.479229181370 13.5247300050 0.474659468370 0 0 1 2 1.0 5.07180090000 1.000000000000 0 0 1 0 1.0 1.01689660000 1.000000000000 0 0 1 0 1.0 0.15681750000 1.000000000000 0 2 4 6 1.0 15.5000000000 0.160164633760 14.0000000000 -0.232015204020 5.54582904200 0.297725872740 1.41395022150 -0.542532381760 0 2 1 0 1.0 1.02881280000 1.000000000000 0 2 1 0 1.0 0.39942220000 1.000000000000 0 3 4 6 1.0 8.29450594870 0.069648222110 6.30603974300 -0.164442296300 1.48901091100 0.551545410330 0.67315390607 0.884613702910 0 3 1 0 1.0 0.41898000000 1.000000000000 0 3 1 0 1.0 0.20060820000 1.000000000000 0 4 1 0 1.0 0.55065000000 1.000000000000 J. Laun, T. Bredow J. Comput. Chem. (2022), 43:839-846 "BSSE-corrected consistent Gaussian basis sets of triple-zeta valence with polarization quality of the fifth period for solid-state calculation", DOI: 10.1002/jcc.26839 Desmarais, J. K., Flament, J. P., Erba, A. (2020). Spin-orbit coupling in periodic systems with broken time-reversal symmetry: Formal and computational aspects. Physical Review B, 101(23), 235142. Note: To be used with CRYSTAL23