[Pw_forum] (no subject)

Paolo Giannozzi giannozz at democritos.it
Thu Aug 28 15:06:37 CEST 2008

On Aug 27, 2008, at 17:06 , Anna Maria Ferrari wrote:

> I started a relax calculation that crashed
> now I hopefully found the error
> my question is
> how can i restart the calculation without repeating the scf?

it depends a lot on what you did and how, whether you have final
or intermediate data, and how lucky you are. The simplest thing to
do is to get the last (or the best) available atomic positions and start
from there

Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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