[Pw_forum] Full k-points in Brillouin Zone (turning-off all symmetries)
Lorenzo Paulatto
lorenzo.paulatto at impmc.upmc.fr
Tue Apr 19 10:59:55 CEST 2016
On Tuesday, 19 April 2016 10:08:34 CEST Ryky Nelson wrote:
> Hello QE users,
>
> I'm trying to do scf calculations with k-points in the full Brillouin Zone
> (not the irreducible one), in other words I don't want the code to apply
> any symmetries on my system. Could anyone tell me if the following setup on
> the Namelist SYSTEM would sufficiently do the job?
>
> nosysm = .TRUE,
> noinv = .TRUE.
>
> Thank you!
Yes, that should do the trick.
HTH
--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www.impmc.upmc.fr/~paulatto/
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