[Pw_forum] graphite cell optimization failed

[Paolo Giannozzi]

On Mar 25, 2011, at 20:40 , Eric Germaneau wrote:

> I did the same thing with the previous version and did not get any  
> issue.

I have no such problem. Since your data contain restart_mode='restart',
my guess is that the problem comes from a restart from inappropriate
data

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