[Pw_forum] How to restart md calculation using pw.x

[Eric Germaneau]

Why not write a script to do that?
It should not be difficult.
Good luck,

           Éric.

On 05/18/2011 03:51 AM, Paolo Giannozzi wrote:
> On May 17, 2011, at 19:38 , willy kohn wrote:
>
>> Thanks a lot for the reply. I have tried this way but found the
>> information of velocities got lost.
> it is a known limitation of the current implementation
>
> 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

/Please, if possible, don't send me MS Word or PowerPoint attachments
Why? See: http://www.gnu.org/philosophy/no-word-attachments.html /

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