[Pw_forum] q-point mesh in PHonon

[Franco Bonafé]

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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