[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
> 
> _______________________________________________
> 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 




More information about the users mailing list