[DFTB-Plus-User] a question about slokos

Mostafa Tavakoli mstv11695 at gmail.com
Tue Nov 26 18:28:22 CET 2019


Hi,
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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20191126/5c4e38bb/attachment.html>


More information about the DFTB-Plus-User mailing list