[QE-users] [nscf calculation after restart_mode]

박기명 knppkm at naver.com
Fri Jan 10 13:51:46 CET 2025


Dear users,

I am performing a nonlinear SOC calculation and using restart mode to adjust the mixed beta parameters to improve convergence.
Are there any potential issues when running NSCF calculations from the wfc.save file obtained in this way?

Thank you

Sincerely,
Gimyung Park
Yonsei University

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