[Pw_forum] Full k-points in Brillouin Zone (turning-off all symmetries)

Lazaro Calderin calderin at physics.queensu.ca
Tue Apr 19 21:42:05 CEST 2016


Actually, the calculations without symmetry are very slow. It should be
better to implement the write out of the full BZ and its mapping to the IBZ
to be used later in post-processing. That could also be used to speed up
the post-processing itself.

Lazaro Calderin
QTP
University of Florida


On Tue, Apr 19, 2016 at 1:17 PM, Mostafa Youssef <myoussef at mit.edu> wrote:

> Thank you for clarification, Ryky!
>
>
> Best Regards,
> Mostafa
> MIT
>
> --
> 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://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160419/b1adc5c1/attachment.html>


More information about the users mailing list