[Pw_forum] problems with programme stopping
giannozz at nest.sns.it
Thu Mar 18 19:43:19 CET 2004
On Thursday 18 March 2004 16:23, Stefano de Gironcoli wrote:
> Problem wit relaxation: this is a error that occurred more often that
> one would have liked during structural relaxation when the shape of the
> potential energy surface was not very parabolic.
more info here: http://www.pwscf.org/guide/2.0/html-node/node34.html
under "Structural optimization..."
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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