[Pw_forum] problem with bands.x ver. 4.3.1

mike at. mikeat4999 at gmail.com
Mon Aug 15 07:31:41 CEST 2011


Have you tried this:
in bands.in file. add no_overlap = true,


On Sun, Aug 14, 2011 at 11:02 AM, <nazari at iasbs.ac.ir> wrote:

> Dear All,
> Please find in the attachment two band structures for graphene. Two inputs
> for them are the same. The only difference is  in the QES version. It seems
> that bands.x in QSE version 4.3.1 does not work properly. But the plot with
> version 4.2 is the same as reported plots for graphene in literature.
> Would you please let we know what is the problem?
>
> regards
> Fariba Nazari
> IASBS
>
>
>
>
>
>
>
> --
> This message has been scanned for viruses and
> dangerous content by *MailScanner* <http://www.mailscanner.info/>, and is
> believed to be clean.
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>


-- 
M. O. ATAMBO
mikeat4999 at gmail.com
student, computational material science group
Chepkoilel university college.
Department of Physics
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110815/caaf2a82/attachment.html>


More information about the users mailing list