Dear developers,
I am calculating silicon phonon dispersion, however, I got confused about the dispersion along K-X.
I found there are apparently different results on the web. Some are the same with my calculation, most are not.
My result along k-path "Γ - K - X - Γ - L" is here:
https://pasteboard.co/GzWanr4.png
The only result that is the same with me is on QuantumWise page :
http://quantumwise.com/about-us/item/836-silicon-phonon-bandstructure
https://pasteboard.co/GzWanr4.png
The only result that is the same with me is on QuantumWise page :
http://quantumwise.com/about-us/item/836-silicon-phonon-bandstructure
However, most of the results that I googled is quite different along K-X, for example
or paper
DOI: 10.1103/PhysRevB.87.165201 in which the author claimed they calculate the phonon by QE
DOI: 10.1103/PhysRevB.87.165201 in which the author claimed they calculate the phonon by QE
I notice that the length of K-X is not the same in two different result.
Besides the same problem exists for similar structure like AlAs etc.
But I don't know what is going wrong here? Which is the right result? Thank you for helping.
best regards
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