Hello,
Recently I've read an article to calculate electron-phonon coupling with finite
displacement method (Phys. Rev. Mater. 6, 074801 (2022)). This is done by
calculating scf in displaced atom configuration while keep the occupation of
band the same as in equilibrium configuration. I've found this can be done in
Quantum ESPRESSO by setting occupations = ‘from_input’ in scf.in file. However,
it seems that only occupation of one k-point is read, but actually the
occupation numbers for different k-point are not the same. Is there a way to
assign occupations of every k-point? Or how should I change the original code
to achieve that?
Ruochen Shi
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