Yes, of course. On Wed, May 14, 2014 at 2:24 AM, Franco Bonaf? <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. Bonaf? > MSc in Chemistry / PhD student > INFIQC :: CONICET > Department of Math & Physics > Facultad de Ciencias Qu?micas > Universidad Nacional de C?rdoba - Argentina > > Phone: +54 351 5353853 > Mobile: +54 9 351 15 5472791 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
-- ____________________________________ Hui Wang School of physics, Henan University of Science and Technology, Henan, China
