[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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