[QE-users] phonon bands shift

[Nicola Marzari]

It could well be correct - lo-to splitting in low symmetry systems leads to different limits at gamma depending on direction.

Nicola

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> On 17 Sep 2022, at 15:18, Aleksandra Oranskaia <aleksandra.oranskaia at kaust.edu.sa> wrote:
> 
> 
> 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!
> 
> 
> -- 
> 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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