Generating Pseudopotential

Phychembio drag... at
Thu Nov 29 06:46:41 UTC 2012

Forgot to mention it is for BLYP. It would be nice if someone has already 
calculated the pp and published it somewhere, but I'd like to learn how to 
generate it by myself too.

On Thursday, November 29, 2012 12:39:35 AM UTC-6, Phychembio wrote:
> I'd like to generate the GTH pseudopotential for Cs and I. I read from 
> this group that I can generate the pp from cp2k. Is that part of cp2k 
> called atom.x? but I can't seem to find it. Any pointers would be great.
> Thanks.
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