Solvation model SCCS convergence issues

Natalie Austin natalie... at gmail.com
Wed Jul 26 18:07:42 CEST 2017


So is it only validated to work properly for inputs that have been used in 
the regtests? like : 
https://sourceforge.net/p/cp2k/code/HEAD/tree/trunk/cp2k/tests/QS/regtest-sccs-1/

On Wednesday, July 26, 2017 at 4:39:03 AM UTC-4, Matthias Krack wrote:
>
> Dear Natalie
>
> To the best of my knowledge, SCCS has never been validated to work with 
> the Wavelet solver properly.
>
> Matthias
>
>
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