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

[Silvio a Beccara]

Hello Mauro,

for the GFN1/2-xTB parametrisation you can use xtb (
https://github.com/grimme-lab/xtb). It does it out of the box.
Best,

Silvio

Il giorno mer 2 dic 2020 alle ore 11:14 Mauro Sgroi <
maurofrancesco.sgroi at gmail.com> ha scritto:

> 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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