How to apply DFT + U in CP2K

Samuel Andermatt samuel.a... at
Wed Dec 10 08:00:31 UTC 2014

1. yes, the U value is specified at FORCE_EVAL&SUBSYS&KIND&DFT_PLUS_U 
therefore it can be different for each kind of atom.
2. yes, create two different names for the atoms, they can still have the 
same element.
3. Just write the same value in the kind section for the O as you write in 
the kind section for the Fe atom.

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