[QE-users] Regarding Phonon calculation

Satyasiban Dash ph19d005 ph19d005 at smail.iitm.ac.in
Sat Jan 15 16:35:06 CET 2022


Dear Users
  I have few doubts regarding implementation of Phonon with qe

1. Does the k grid value  affect spectra results in general or can we set a
small grid like (2,2,2) ?

2. Does supercell change the spectra in any other way  instead of just
increasing mode?


Thank You.
Satya
Research Scholar
IIT Madras
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