[Pw_forum] Restarting a Geometry Optimization

Paolo Giannozzi giannozz at democritos.it
Sun Dec 18 19:53:41 CET 2011


On Dec 18, 2011, at 15:58 , Vic Bermudez wrote:

> Can someone please provide a simple description of how,
> exactly, one goes about restarting a pwscf geometry optimization
> run that has timed out ?

there s nothing "simple" about restarting, and in any case,
"exactly" and "simple" don't match.

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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