[CP2K-user] Potential for Cl atom in HCTH120 functional
Nicolás Marcelo Rozas Castro
nicola... at ug.uchile.cl
Sun Sep 1 12:50:40 UTC 2019
Dear All,
I'm trying to perform a metadynamic calculation on an aqueous solution of
various ionic species including Cl, with the HCTH120 functional, but as far
as i know, there is not a potential defined for Cl atom (in the HCTH120).
So my question is: there is an updated version of Potential list? or maybe
i can use the potential for other functional, namely, PBE, and in this
case, there will be an extra error introduced by this?
THANKS!
N.R.C
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