[QE-users] [starting_magnetization]

박기명 knppkm at naver.com
Sat Dec 28 14:59:21 CET 2024


Dear all,

I am using Q.E-6.7Max.

(noncollinear/spin-orbit case)

If starting_magnetization is set to a non-zero value for at least one atom, are the other atoms automatically assigned appropriate magnetization values?
Although the starting_magnetization for the remaining atoms seems to be set to 0, the calculation results show that non-zero magnetization values also appear for those atoms.

Thank you

Sincerely,
Gimyung Park
Yonsei University

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