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

[Ben Hourahine]

Hello Mauro,

the implementation of the GFN1 hamiltonian is being worked on at the
moment and will be fully integrated for the 21.1 release next Spring.

Regards

Ben

On 02/12/2020 10:13, Mauro Sgroi wrote:
> 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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-- 
        Dr.  B.  Hourahine,  Senior  lecturer
            SUPA, Department  of  Physics,
             University  of  Strathclyde,
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          107 Rottenrow, Glasgow G4 0NG, UK.                    
  +44 141 548 2325, benjamin.hourahine at strath.ac.uk

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