[Pw_forum] Intermediate restart

[simone marocchi]

Dear Duy Le,
                     I have followed your advice and I read again the input
data description but it does not solve my point, I would need two different
prefix variables, a "prefix_in" and a "prefix_out" but currently the prefix
is only one and it is overwritten each new scf calculation.

Thanks for your kind help,
Simone



2013/6/25 Duy Le <ttduyle at gmail.com>

> Hi,
> 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
> >
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
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