[QE-users] Set spin state

Shenli Zhang shlzhang at ucdavis.edu
Sun Dec 2 23:29:09 CET 2018


Dear QE users,

I have a question about setting up a specific spin state in the pw.x input.
For example, I want to do a scf calculation on a Co compound with its
different spin states: S=1 and S=2. What parameters should I define to fix
these values in the calculation?

Thank you so much!

Shenli Zhang
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