[Pw_forum] second call: A problem in calculating x phonons

[Mamindla Ramesh]

Hi,
please do not calculate nscf and after scf calculation do ph.x

On Fri, Sep 30, 2016 at 6:39 AM, Abdullah N. Albarakati <
anbarakati at uqu.edu.sa> wrote:

> Dear experts,
>
> I want to calculate x photons as described below:
>
> first run scf calculation, then a nscf calculation, then a ph.x run for a
> while and then stopped.
>
> the output is below:
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%%
>      Error in routine set_irr_sym_new (5722):
>      wrong representation
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%%
>
>      stopping ...
>
> what should I do?
>
> thank you in advance,
>
> Abdullah
>
> ------------------------------
>
> This email and any files transmitted with it are confidential and intended
> solely for the use of the individual or entity to whom they are addressed.
> If you have received this email in error please notify Email System
> Administrator (e_admin at uqu.edu.sa ) . Please note that any views or
> opinions presented in this email are solely those of the author and do not
> necessarily represent those of the Umm Al-Qura University. Finally, the
> recipient should check this email and any attachments for the presence of
> viruses. The Information Technology and Technical Support Center of Umm
> Al-Qura University accepts no liability for any damage caused by any virus
> transmitted by this email.
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
M. Ramesh
Research Scholar
Department of Physics
IIT Hyderabad
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160930/d410946a/attachment.html>