[Pw_forum] q-point mesh in PHonon

[xirainbow]

Yes, of course.

On Wed, May 14, 2014 at 2:24 AM, Franco Bonafé <francobonafe at gmail.com> wrote:
> Dear QE users,
>
> I'm interested in calculating the Raman spectra for a bulk material using
> the PHonon package. I understand that I need to define a q-point mesh that
> generates a Monkhorst-Pack grid to obtain the phonon dispersions.
> I'd like to know how to find the proper values of nq1, nq2, nq3 for this
> purpose. Should it be carried out like a convergence test, until the same
> result is found consistently?
> Thanks to all.
>
> Franco.
>
> --
> Franco P. Bonafé
> MSc in Chemistry / PhD student
> INFIQC :: CONICET
> Department of Math & Physics
> Facultad de Ciencias Químicas
> Universidad Nacional de Córdoba - Argentina
>
> Phone: +54 351  5353853
> Mobile: +54 9 351 15 5472791
>
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-- 
____________________________________
Hui Wang
School of physics, Henan University of Science and Technology, Henan, China