[QE-users] Electronic band structure calculation for each q in ph.x

[Lorenzo Paulatto]

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 <krishnendu at nmlindia.org> wrote:
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>Dear pw-user, 
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>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. 
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>Thank you, 
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>Regards, 
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>Krishnendu Mukherjee, Ph.D., 
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>Principal Scientist, 
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>CSIR-NML, 
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>India. 
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