[Pw_forum] Intermediate restart

Duy Le ttduyle at gmail.com
Tue Jun 25 21:33:58 CEST 2013

You should take a closer look at outdir and prefix. You need
appropriate values for these parameters.
Duy Le
Postdoctoral Associate
Department of Physics
University of Central Florida.
Website: http://www.physics.ucf.edu/~dle

On Tue, Jun 25, 2013 at 12:20 PM, Simone Marocchi <simone.roz at gmail.com> wrote:
> Dear All,
>                 I have just one silly question about the functioning of the pwscf
> software.
> 1) Can I put the final wavefunctions of my calculation in a different
> directory respect to the one of the input ? e.g. if I use wf_collect and
> I reach the convergence for my calculation saving my data in
> my_system.save , is it possible to start an other calculation
> restarting my previous data and saving the output in my_system_2.save, or maybe
> I have to cp the *.save dir and then restarting from that one, writing
> the new path in the  prefix parameter of the input file ?
> Thanks for your help
> Sincerely,
> Simone Marocchi,
> PhD student,
> University of Modena and Reggio-Emilia
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