[Pw_forum] Regarding Phonon dispersions

Kondaiah Samudrala konda.physics at gmail.com
Fri Apr 25 16:04:09 CEST 2014

Dear all,

Can anyone perform Phonon dispersions with LO-TO splitting for body centerd
tetragonal structure with Quantum espresso??.

I am sure and did LO-TO spllitting calculations at q=0. But, I am really
worried about implementation of LO-TO splitting in Quantum espresso at q!=0
cases in semiconductors and insulators!!!! Whether it is working for all q
points or not????

with regards
S. Applakondaiah
University of Hyderabad
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