Howto for DFTB and XTB methods

[Mauro Sgroi]

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.

[Anton S. Lytvynenko]

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:

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[Mauro Sgroi]

Dear Anton,

thanks a lot.

Best regards,

Mauro.