[Pw_forum] Na PW91 pseudo messes up FPMD
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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