Dear QE users and developers,
I am trying to calculate black phosphorus phonons on Gamma point.
But in the result, I found the phonon modes is not consistent with other
researcher's work.
For example, the sixth mode should be B3g, but in my calculation result, it
show B2g. (But the symmetry of structure is correct).
I change to different sudo-potential, this situation also change.
Does anyone know some reasons for this problem?
TW
Department of Physics.
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