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 & Universit? Paris 6 phone: +33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05
