[Pw_forum] Na PW91 pseudo messes up FPMD

Eyvaz Isaev eyvaz_isaev at yahoo.com
Fri Feb 25 18:51:40 CET 2005


> Can I use the same pseudopotentials in PW and FPMD
> (norm-conserving),
> or there is some caveat?

Yes, I think so. FPMD and PW use the same interface
and PsPs. The best choice should be PsP in the UPF

Good luck,

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