[Pw_forum] Na PW91 pseudo messes up FPMD

[Paolo Giannozzi]

On Friday 25 February 2005 18:33, Davide Ceresoli wrote:

> and the initial forces on Cl atoms are NaN

... Sodium Nitride is a nasty compound !

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

you can. Please post a job demostrating the problem you
are observing (with enough information to reproduce it)

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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