[DFTB-Plus-User] Long-range corrected parameters for Silicon

Brendan Smith bsmith24 at buffalo.edu
Fri Feb 14 17:11:16 CET 2020


Hello DFTB+ community,

Would anyone happen to have LC Slater-Koster files for Silicon compounds?

Ex)

Si-Si
Si-C
Si-N
Si-H
Si-F

I have been using the pbc set, but it would be really great if someone
could please share with me any LC corrected SK files for silicon. I notice
there are some publicly available for C, N, H, and O, but not for their
interactions with silicon.

Thank you for taking the time to read my message,
Best,
Brendan Smith
PhD Candidate, State University of New York at Buffalo
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