Dear QE developer and users:
I just began to try LDA+U method in QE, by adding lda_plus_u = .true. and
Hubbard_U(i) parameters to scf input file, where the U value was determined by
following M.Cococcioni's thesis and Prof. Marzari's paper (PRL, 97, 103001).
However, when I check other code
Dear GAO Zhe;
As told by Lorenzo Paulatto, I think that LDA+U is just a name and all the
important thing is how to include the Hubbard "U" term. However, in may
opinion, this still being true only for DFT (LDA or GGA) XC functional, and
one should take care if the XC functional is a Hybrid-type
On Mon, 12 Mar 2012 12:21:30 +0100, GAO Zhe 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
