How to apply DFT + U in CP2K

[Samuel Andermatt]

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.

>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141210/28e68791/attachment.htm>