[QE-users] [nscf calculation after restart_mode]

[박기명]

nonlinear SOC -> noncollinear SOC
mixed beta -> mixing beta

-----Original Message-----
보낸사람: "박기명"<knppkm at naver.com>
받는사람: "Quantum ESPRESSO users Forum"<users at lists.quantum-espresso.org>
참조:
날짜: 2025. 1. 10 21:51:46
제목: [QE-users] [nscf calculation after restart_mode]

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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