[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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