[CP2K-user] [CP2K:17495] DFT+U when to use ENFORCE_OCCUPATION

mdsimula...@gmail.com mdsimulationgroup at gmail.com
Tue Aug 16 11:28:57 UTC 2022

Hello all,

I have a general question about DFT+U.  When is the ENFORCE_OCCUPATION 
setting good to use?

Is there any literature regarding the setting?


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