[QE-users] Electronic band structure calculation for each q in ph.x
KRISHNENDU MUKHERJEE
krishnendu at nmlindia.org
Mon Feb 27 07:45:25 CET 2023
Dear pw-user,
I note that during ph.x calculation, electronic band structure is calculated for each q. Can you please let me know why? I guess the probable reason could be that, it is important to know the Fermi energy surface to calculate the phonon dispersion.
Thank you,
Regards,
Krishnendu Mukherjee, Ph.D.,
Principal Scientist,
CSIR-NML,
India.
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