[Pw_forum] Pslibrary not writing pwscf.rdf.dat
Paolo Giannozzi
paolo.giannozzi at uniud.it
Sat May 10 17:04:52 CEST 2014
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
>
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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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