[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? 


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