[CP2K-user] Is SCRF in cp2k Onsager model?

wabeck kamak... at gmail.com
Tue Oct 6 08:11:10 UTC 2020


Hello all

I'd like to use SCRF to optimize Cs+ in water.
It seems that many people use SCCS. So I can't get much information for 
SCRF.

I read the manual, but I wasn't able to find the options about van der 
waals radius.
Is SCRF in cp2k Onsager model?
Otherwise, are van der waals radii already implemented?

I'd like to know what type of SCRF in cp2k is
: Onsager, PCM or something only implemented in cp2k.

Sincerely
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