[Pw_forum] graphite cell optimization failed

Paolo Giannozzi giannozz at democritos.it
Fri Mar 25 08:25:38 CET 2011


On Mar 25, 2011, at 12:17 , Eric Germaneau wrote:

> That's my be something obvious for experts but not yet for me.

it is not obvious at all: it is an internal error that should never show
up. Please provide the input that produces such an error and
specify if you run in parallel, and on how many processors

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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