[Pw_forum] Raman frquency calculation - reg.,

Muthu V muthu.physicsmath at gmail.com
Sat Jul 30 13:25:20 CEST 2016


Dear Users

    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 ,
for
    example no of KPOINT in SCF run, asr typr in madyn calculation.
    Since i am getting negative value for frequecy as well as raman
intensity
    for my system. can any one help in this regard ?
    Thank you

    ==========================================

    Muthu V
    Sri Paramakalyani Colege
    Alwarkurichi

    ==========================================
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