[QE-users] How to obtain spin-state in QE?
sahar mohammadi
saharmohammadi683 at gmail.com
Sat May 23 12:38:21 CEST 2020
Dear QE users
I have performed spin-polarized DFT calculation for Fe2O3 cluster. now I
want to obtain the spin-state of the relaxed (optimized ground state)
cluster. for example it is doublet or quartet. How can I know what is the
spin state?
Kind regards
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