How to apply DFT + U in CP2K

Linus.Xing 邢登辉 linu... at
Wed Dec 10 03:00:26 UTC 2014

How to apply DFT + U in CP2K ? (I'm a fresh user of CP2K)

I still have some sub-questions (e.g. Fe2O3 Slab Model ):
 1.Can I specify different U values for d ,f ,or even p orbital respetively 
for one kind of metal atom (e.g.  Fe) ?
 2. In a slab model, can I set different U values for surface Fe and bulk 
Fe ?
 3. Can I set U value for O and Fe at the same time ?

I hope someone could help me ! Thank you very much !

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