[QE-users] reproducing phonon dispersion of FCC aluminum

Jacopo Simoni simonij at tcd.ie
Thu Sep 9 05:36:11 CEST 2021


Dear QE users,
I am trying to reproduce the phonon dispersion of FCC aluminum, and overall
looks correct except around the K point in the FBZ. I tried everything to
solve the issue but I am not able to get rid of it.
I attach here the band plot, in addition I upload all the input SCF and PH
calculations, I appreciate any suggestion.

Thanks in advance,
Jacopo Simoni, Lawrence Berkeley National Lab.
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