[DFTB-Plus-User] a question about slokos
mstv11695 at gmail.com
Tue Nov 26 18:28:22 CET 2019
I have two questions
1-Is it possible to perform dftb3 calculation along with long-range
correction in a single calculation? If yes, which set of slakos we must use?
2- How we can build slako files like Si-Si2.skf when we want to use
"selectedshells" option? And: Is using this method something like using
defuse basis sets in softwares like gaussian?
Thank you very much.
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