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* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140513/df2e12e2/attachment.html
