[Pw_forum] wrong representation
Alwaleed Adllan
waleed_abusin at hotmail.com
Sat Oct 18 17:15:34 CEST 2014
Dear Paolo Giannozzi
sorry I mean 5.0.2
tahks
> From: paolo.giannozzi at uniud.it
> To: pw_forum at pwscf.org
> Date: Sat, 18 Oct 2014 17:01:46 +0200
> Subject: Re: [Pw_forum] wrong representation
>
> On Sat, 2014-10-18 at 17:01 +0300, Alwaleed Adllan wrote:
> >
> > I am running Phonon calculation for BaF2 324 atoms simple cubic
> > supercell. I got this error
> > "Error in routine set_irr_sym_new (8122):
> > wrong representation"
> > using quantum espresso-5.2
>
> nonexistent version
>
> P.
>
> >
> > the same calculation is running for scf without any error
> >
> > any help
> > Regards
> >
> >
> > Alwaleed Ahmed Adllan
> > Technical Operations Manager
> > Sudan Center for HPC and Grid Computing
> > Africa City of Technology
> > Sudan
> >
> > _______________________________________________
> > 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
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
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