[Pw_forum] problems with programme stopping

[Paolo Giannozzi]

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