[Pw_forum] LDA+U or GGA+U?

[Lorenzo Paulatto]

On Mon, 12 Mar 2012 12:21:30 +0100, GAO Zhe <flux_ray12 at 163.com> wrote:
> Therefore, I am wondering that, if I setted lda_plus_u = .true. and used  
> GGA pseudo-potential, may I say I am using GGA+U method?


Yes, you may. The +U correction can be applied to any kind of functional.  
The "lda" in "lda+U" is just a name, it does not imply that the functional  
has to be strictly local.

best regards

-- 
Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
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