[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
 
 
 ****************************************************************
 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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