[Pw_forum] Na PW91 pseudo messes up FPMD

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


Hi,

> 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
format.

Good luck,
Eyvaz.



		
__________________________________ 
Do you Yahoo!? 
Yahoo! Mail - Find what you need with new enhanced search.
http://info.mail.yahoo.com/mail_250



More information about the Pw_forum mailing list