Dear Mehdi, I have used q grid of 4*2*1 for phonon calculation (followed steps as: pw.x, ph.x, q2r.x, matdyn.x). The file containing frequencies is attached here.
Thank you! -- With regards Anupriya Nyayban Ph.D. Scholar Department of Physics NIT Silchar
rbpbi3421.freq
Description: Binary data
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