[Pw_forum] Raman frquency calculation - reg.,
muthu.physicsmath at gmail.com
Sat Jul 30 13:25:20 CEST 2016
I'm trying to calculation Raman and IR frequencies with PHonon package
included in QE. i want to know the prerequisites that i have to check ,
example no of KPOINT in SCF run, asr typr in madyn calculation.
Since i am getting negative value for frequecy as well as raman
for my system. can any one help in this regard ?
Sri Paramakalyani Colege
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