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/
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20161012/c2f00250/attachment.htm>


More information about the CP2K-user mailing list