-------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida.
"Men don't need hand to do things" On Tue, Apr 26, 2011 at 1:00 PM, Stefano de Gironcoli <degironc at sissa.it> wrote: > Dear ?WANG Wei > ? the vdw-DF functional form is not defined for spin polarized system... Or it does mean that non-local energy is not spin-dependent but charge-density-dependent only. > ? if you define, implement and test it, you could even get a nice > publication out of it. thank you. The spin-polarized vdW-DF has been implemented in GPAW. > stefano > > > Quoting WANG Wei <wonvein at gmail.com>: > >> Dear everyone, >> >> I want to investigate the vdW systems with spin polarized calculations. >> However, I found that the vdW functional is not implemented for spin >> polarized calculations yet. It would be better if it will be supported in >> the near future. Thank you. >> >> Sincerely yours, >> WANG >> >> >> +---------------------------------------------------------+ >> >> Kawazoe's Lab >> Institute for Materials Research (IMR), >> Tohoku University2-1-1 Katahira, Aoba-ku, Sendai, >> Japan >> +---------------------------------------------------------+ >> > > > > ---------------------------------------------------------------- > ? SISSA Webmail https://webmail.sissa.it/ > ? Powered by Horde http://www.horde.org/ > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
