[Pw_forum] wrong representation

Paolo Giannozzi paolo.giannozzi at uniud.it
Sat Oct 18 17:01:46 CEST 2014


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 




More information about the users mailing list