[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 
> 
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