[Pw_forum] graphite cell optimization failed

[Eric Germaneau]

Dear Professor Giannozzi,

It seems you've edited the wrong file.
I've attached it again.
Yours,

          Eric.

On 03/25/2011 06:14 AM, Paolo Giannozzi wrote:
> 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.
> ---
> 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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-- 
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---

Dr. Éric Germaneau <mailto:germaneau at gucas.ac.cn>

College of Physical Sciences
Graduate University of Chinese Academy of Sciences
Yuquan Road 19A
Beijing 100049
China

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