[QE-users] phonon bands shift

[Aleksandra Oranskaia]

Dear users and developers,

I will very appreciate any comments and suggestions on how to deal with the
strange step-like shifts at Gamma points. I am facing it with different
systems, so it is not system-specific finding.

Please see below phonons without acoustic sum rules application and with
"simple" rules.

Hope to hear anything.
Thank you!
[image: image.png]
[image: image.png]


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Best wishes,
Al., phd candidate in chemical sciences
'I.. a universe of atoms, an atom in the universe' (Richard P. Feynman)
https://cpms.kaust.edu.sa/

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