[Pw_forum] transverse acoustic, longitudinal acoustic, and out-of-plane transverse acoustic

ali ghafari aaghafari at yahoo.com
Mon Nov 21 09:28:35 CET 2016


Dear QE Users
I 'm  going to calculate the Phonon dispersion with Quantum ESPRESSO (version 6.0). The acoustic spectra consist of  three branches which are transverse acoustic (TA), longitudinal acoustic (LA), and out-of-plane transverse acoustic (ZA).I have two questions: 
1- Does the dimension of Supercell for phonon calculation determine by nq1, nq2,and nq3 in the phonon input file?2- we know that the lowest three dispersion in the phonon spectra show the three acoustic branches, but how can I find which one is for TA, LA, and ZA? thanks for your reply.Best RegardsAli
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