[Pw_forum] How to restart md calculation using pw.x
germaneau at gucas.ac.cn
Thu May 19 12:20:48 CEST 2011
Why not write a script to do that?
It should not be difficult.
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
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> Pw_forum mailing list
> Pw_forum at pwscf.org
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