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

willy kohn willykohn at gmail.com
Thu May 19 08:11:22 CEST 2011


Dear Paolo:

I'm just wondering why it has not been implemented yet. Are there any
serious conflicts with the other functions of the present
implementation?

Best,

Wei

On Wed, May 18, 2011 at 3:51 AM, Paolo Giannozzi <giannozz at democritos.it> 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
>
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>


More information about the Pw_forum mailing list