[CP2K-user] [CP2K:14543] Howto for DFTB and XTB methods

Anton S. Lytvynenko anton.s.... at gmail.com
Thu Jan 14 16:10:40 UTC 2021


Dear Mauro Sgroi,

There were exersises on other stuff using DFTB as the method, e.g.
https://www.cp2k.org/exercises:2016_ethz_mmm:ls_scf

In addition, there is a number of tests in the CP2K sources offering
some basic setups.

Yours,

Anton

14.01.21 14:50, Mauro Sgroi пише:
> Dear all,
> I'm searching for a tutorial/exercise/example on the use of CP2K with
> the DFTB and XTD methods.
> I'm not able to found it on the website.
>
> Any suggestion?
>
> Thanks a lot in advance and best regards,
>
> Mauro Sgroi.
>
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