Reason for nstep 1 for NSCF in el-ph coupling calculations

Phonons, DFPT, electron-phonon, electric-field response, mechanical response…

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guptaajg
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Joined: Thu Aug 25, 2016 6:10 pm

Reason for nstep 1 for NSCF in el-ph coupling calculations

Post by guptaajg » Wed Aug 31, 2016 6:04 pm

Dear Moderators,

Could someone kindly clarify the reason for choosing

Code: Select all

nstep 1
while performing the NSCF calculations for the estimation of electron-phonon coupling parameters?

I saw that similar question was asked recently in the same group but it was left unanswered. I hope someone answers it this time.

Many thanks and best wishes,

Ankit

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