Dear Sahar vdwDF itself is not defined in a open shell framework (or I suppose so... You should read the references printed at standard output by pw.x when you enforce the vdwDF functional). If you need some dispersion correction and nspin=2, you may try with the semi-empirical DFTD2 approach (london=.true. in pw.x input). HTH
Giuseppe On Tuesday 22 May 2012 22:09:24 Sahar Mirshamsi wrote: > Hi QE users and developers, > > I just want to know if spin polarized vdW-DF is implemented in QE 5.0? and > if not, is it going to be implemented sometime soon? > > Thanks, > > Sahar Mirshamsi > Department of Physics > University of Florida > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- ******************************************************** - Article premier - Les hommes naissent et demeurent libres et ?gaux en droits. Les distinctions sociales ne peuvent ?tre fond?es que sur l'utilit? commune - Article 2 - Le but de toute association politique est la conservation des droits naturels et imprescriptibles de l'homme. Ces droits sont la libert?, la propri?t?, la s?ret? et la r?sistance ? l'oppression. ******************************************************** Giuseppe Mattioli CNR - ISTITUTO DI STRUTTURA DELLA MATERIA v. Salaria Km 29,300 - C.P. 10 I 00015 - Monterotondo Stazione (RM) Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <giuseppe.mattioli at ism.cnr.it>
