On Mon, Jan 24, 2011 at 2:19 AM, Paolo Giannozzi <giannozz at democritos.it> wrote: > > On Jan 24, 2011, at 6:42 , mohnish pandey wrote: > >> ? ? ? ? ? ? ? ? ? ? ? ? ?I have searched in other literatures also, >> but did not find anything with PBE functional or in general >> plane wave DFT. Most of the work is in DFT+U.. > > this should tell you something... Right. The DFT+U paper will tell you exactly why they used DFT+U but the regular DFT and also what are the expected results of using regular DFT
-------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida. "Men don't need hand to do things" > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
