DFTB+solvation
Matthias Krack
matthia... at psi.ch
Wed Oct 12 07:16:14 UTC 2016
Hi Sharma
the SCCS implementation and testing was done based on the Quickstep/GPW
method only. So it would be rather accidental if SCCS would work with any
other method.
Best regards
Matthias
On Tuesday, 11 October 2016 19:31:51 UTC+2, Sharma SRK Chaitanya Yamijala
wrote:
>
> Hi all,
>
> Does anyone have any experience with the SCCS models with DFTB, in CP2K?
> Are there any known shortcomings of SCCS models with DFTB?
>
> Thanking you,
> Sincerely,
> Sharma.
>
>
> --------------------------------------------------------------------
> Sharma
> http://www.chem.rochester.edu/groups/huo/people/
>
>
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