[QE-users] discontinuities in phonon band and 2D phonon bandstructure

Karkee, Rijan rkarkee at lanl.gov
Thu Jun 13 21:57:35 CEST 2024


Dear QE users,

I am seeing discontinuity in phonon bandstructure at Gamma. Is there a way to get rid of this or is this trying to tell something?

Also, like for electronic band calculation in pw.x  (using crystal_c or tpiba_c) is there a way to have 2D plot of phonon dispersion?

Thanks for your suggestions.


Best
Rijan

LANL
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