[Pw_forum] about ploting of phonon dispersion

surender at iitk.ac.in surender at iitk.ac.in
Sun Dec 10 18:09:06 CET 2017


Dear users

I have to calculate phonon-dispersion for my cubic system, I successfully
done my band structure calculation with these high symmetry points.

K_POINTS {crystal_b}
8
   0.000   0.000   0.000  40  ! \Gamma
   0.000   0.500   0.000  40  ! X
   0.500   0.500   0.000  40  ! M
   0.000   0.000   0.000  40  ! \Gamma
   0.500   0.500   0.500  40  ! R
   0.000   0.500   0.000  40  ! X
   0.500   0.500   0.000  40  ! M
   0.500   0.500   0.500  40  ! R

now my question is about phonon-dispersion, as I successfully completed
electron-phonon calculation by ph.x code, now I have to perform
calculation with matdyn.x for phonon-dispersion.
Is it fine to take above high symmetry points for phonon-dispersion
calculation or I have to take different q-points.

Thanks in advance

Regards
Surender
IIT Kanpur
INDIA



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