[DFTB-Plus-User] Question about extended GFN-xTB parametrization

Mauro Sgroi maurofrancesco.sgroi at gmail.com
Wed Dec 2 11:13:48 CET 2020


Dear users,
I'm new to this mailing list. My name is Mauro Sgroi and I work at Centro
Ricerche FIAT in Italy.
I would be interested in the use of the parametrization GFN1-xTB (or the
GFN2 if possible) but from the dftb+ manual I cannot understand if it can
be used or not and how to use it.

Maybe it was already discussed on this list.

Could you please give me some guidance?

Thanks in advance and best regards,
Mauro Sgroi.
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