Thank you! My QE version is 4.0.4. I will go for the newest version to have a look.
On Tue, Apr 21, 2009 at 10:21 PM, Lorenzo Paulatto <paulatto at sissa.it>wrote: > In data 21 aprile 2009 alle ore 15:55:29, Aihua Zhang <zah7903 at gmail.com> > ha scritto: > > I had expected the force exerted on nucleus by the field would > > cancel the force on ion due to change in electron charge density, so the > > total force should vanish since the system is neutral. I also varied the > > cutoff energy, but failed to see a convergence behavior as shown below. > > Could anyone give me a clue? Thank you! > > dear Aihua Zhang, > that part of the code has been "fixed" more than once recently, hence the > answer depends on the exact version of QE you are using. > > regards > > > -- > Creato con il rivoluzionario client e-mail di Opera: > http://www.opera.com/mail/ > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- ------------------------------------------------------------------ Research Fellow, Dept. of Physics, National Univ. of Singapore 10 Kent Ridge Crescent, Singapore, 119260 Tel: +65 6516 7844 ------------------------------------------------------------------ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090421/d8e2ba53/attachment-0001.htm
