[Pw_forum] disk_io and related problem

[Valentina Cantatore]

Thank you very much for your kind answer.

Valentina


2014-06-30 11:17 GMT+02:00 Paolo Giannozzi <paolo.giannozzi at uniud.it>:

> Hi
>
> disk_io='none' should be used only if you do not need any data
> from the calculation, apart what is printed on output. 'nscf'
> and 'bands' calculations need as a strict minimum:
> - the self-consistent charge density,
> - the atomic positions (for consistency: the same for which
>   the scf charge density was computed)
> - the Fermi energy (to compute occupancies)
>
> P.
>
>
> On Mon, 2014-06-30 at 10:34 +0200, Valentina Cantatore wrote:
> > Good morning to everybody.
> >
> >
> > I run a scf caluclation using the disk_io='none' option. Now, starting
> > from this calculation I need to run a nscf one but I get the following
> > error message:
> > "Error in routine pw_readfile (1):
> >   error opening xml data file"
> >
> >
> > A different but very similar calculation run without the disk_io
> > option doesn't give this kind of problem in nscf running.
> >
> >
> > So, is it possible to run a nscf calculation starting from a scf run
> > with disk_io='none'?
> >
> >
> > Thank you for your answer.
> >
> >
> > Valentina Cantatore
> > Università del Piemonte Orientale, Alessandria
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
>
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