The phonon code needs the wave functions at each k+q point. Kind regards
On February 27, 2023 7:45:25 a.m. GMT+01:00, KRISHNENDU MUKHERJEE <krishne...@nmlindia.org> wrote: > > > > >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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