-------------------------------------------------- Duy Le PhD Student Department of Physics University of Central Florida.
"Men don't need hand to do things" On Wed, Apr 27, 2011 at 3:29 AM, Stefano de Gironcoli <degironc at sissa.it> wrote: > the vdW energy depends on the local polarizability of the electron gas .. > does it depend on the spin density ? I would say so. I would depend as we expected, however, from the formalism of vdW-DF, spin is not taken into account. So, I think in the limit of vdW-DF, the spin-dependence is ignored. > Is it taken into account in the current definition of vdw-DF ? I would say > no... > how is it implemented in GPAW ? just blindly or with some argument ? I am not sure. Did not have a chance to look at it and there is no found document about this. > stefano > > On 04/27/2011 06:35 AM, WANG Wei wrote: > > Thank you for your advice, Deu. Yes, the non-local energy is independent the > spin density. > > > On 27 April 2011 12:34, Duy Le <ttduyle at gmail.com> wrote: > > -------------------------------------------------- > 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 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > >
