[Pw_forum] Na PW91 pseudo messes up FPMD

Paolo Giannozzi giannozz at nest.sns.it
Mon Feb 28 12:25:42 CET 2005

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 Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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