Dear Giuseppe, Thank you very much!
Vi ________________________________ From: Giuseppe Mattioli <[email protected]> To: PWSCF Forum <pw_forum at pwscf.org> Sent: Sat, June 19, 2010 4:52:21 AM Subject: Re: [Pw_forum] B3LYP Dear Vi Vo > Is B3LYP implemented in QE 4.2? It is, but first have a look at this file /yourespresso-4.2/examples/EXX_example/README having in mind that hybrid functionals are not still straightforwardly implemented in QE... Yours Giuseppe On Saturday 19 June 2010 01:35:39 Vi Vo wrote: > Dear PWSCF Users, > > Is B3LYP implemented in QE 4.2? > > Thank you, > > Vi Vo > Chemical Engineering Department > University of Houston -- ******************************************************** - 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 00016 - Monterotondo Stazione (RM) Tel + 39 06 90672836 - Fax +39 06 90672316 E-mail: <giuseppe.mattioli at ism.cnr.it> _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100623/e8b5f855/attachment.htm
