[CP2K-user] [CP2K:18673] the default unit of spin moment in cp2k
peng liu
superdirac at gmail.com
Mon Apr 17 17:27:39 UTC 2023
Dear everyone:
Recently, I run a simulation containng a high-spin iron atom (2+
charge). I perform Lowdin charge and spin moment analysis.
I wander the default unit of spin moment in cp2k. Is it mu_B?
Any help is appreciated.
Best wishes,
Peng
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