[Pw_forum] Pslibrary not writing pwscf.rdf.dat

[Prateek Mehta]

Sorry about that. I had thought it was illogical that the pseudopotential
would affect that too. I did a few more tests and it is not a
pseudopotential issue.

The rdf file isn't being written independent of the pseudopotential for an
MD run. It would be great if someone could tell me how to write this file.


On Sat, May 10, 2014 at 11:04 AM, Paolo Giannozzi
<paolo.giannozzi at uniud.it>wrote:

> There is no relation between pseudopotentials and file $prefix.rdf.dat
>
> P.
>
> containing information on On Fri, 2014-05-09 at 21:12 -0400, Prateek
> Mehta wrote:
> > Hi all,
> >
> > I seem to be having  strange issue with pslibrary1.0.0 for MD
> > simulations.
> >
> > For some reason the pwscf.rdf.dat file is not being written while
> > using pseudopotentials from pslibrary1.0.0. If I use other pseudo
> > potentials obtained from the QE website, the rdf is being written. All
> > other input parameters are the same.
> >
> >
> > Does anyone know why this is happening?
> >
> >
> >
> > Thanks,
> >
> >
> > Prateek Mehta
> >
> > Robert Bosch Research
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
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>
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