[DFTB-Plus-User] {H, C, N, O, S, Mg} Slater-Koster file
北川 裕也
kitagawa at quanta.synchem.kyoto-u.ac.jp
Wed Dec 3 10:21:05 CET 2008
Dear DFTB+ users,
I'm a new user and I would like to optimize a compond in a system
including H, C, N, O, S and Mg.
And I'm looking for Slater-Koster files for it.
Could anyone know existence of SK files as mio-0-1 including S and Mg?
Best regards,
Yuya Kitagawa
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Yuya Kitagawa
Department of Synthetic Chemistry and Biological chemistry,
Graduate School of Engineering, Kyoto University
Kyoto-Daigaku-Katsura, Nishikyo-ku, Kyoto 615-8510
e-mail: kitagawa at quanta.synchem.kyoto-u.ac.jp
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