[Pw_forum] Complete path of q-points

Naseem Hassan raheskoon at gmail.com
Tue Apr 18 17:42:27 CEST 2017


Dear Members,

I would like to calculate phonons via QE.  I know how to setup Phonon
calculations.

Firstly, kindly guide, how to choose complete q-point path (as we give
Kpoint path for band structure) for a specific system such as for MoSe2 ?
Secondly, is primitive cell enough for such calculations ?

I Would be very grateful for your time and help.

Best Regards,
N. Hassan,
UNIST, South Korea.
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