Dear Giacomo I did it, some time ago (ZnO wurtzite, QE 4.x.y). The vc-relax calculation goes indeed somewhere, and the results may be quite reasonable. But, as I said to Paolo in an old thread on this subject, "thou shalt not perform unsupported calculations..." :-) Giuseppe
On Wednesday 06 June 2012 08:36:35 Paolo Giannozzi wrote: > On Jun 5, 2012, at 11:53 , giacsport at libero.it wrote: > > reading it form the example README file for hybrid calculations > > I understand that I can not optimize the lattice parameter > > using the hybrid functional. Am I right? > > Thus "relax" and NOT "vc-relax". Correct? > > just try and you will know for sure! P. > > --- > Paolo Giannozzi, Dept of Chemistry&Physics&Environment, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > > _______________________________________________ > 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>
