dear Mourad as Mr. Giuseppe has said the interval of U depends on matter and condition that you have. the best answer for you is, of course i think, at first you should calculate U by some approach such as RPA,cRPA or perturbation and than exert it on your calculation.
Best regards 2012/1/16 Giuseppe Mattioli <giuseppe.mattioli at mlib.ism.cnr.it> > > Dear Mourad > What do you mean by "validity"? You can set a given U value without any > restriction, but if you mean > a "meaningful U value" it depends on the physical properties of your > system. > HTH > Giuseppe > > On Monday 16 January 2012 09:52:40 debbichi mourad wrote: > > Dear pwscf users > > > > I would like to do some calculations with LDA+U. > > I would like to know the interval of the validity of the potential U. > > > > Thanks in advance, > > > > Sincerely > > Mourad > > > > > > DEBBICHI Mourad > > Unit? de Recherche Physique des Solides,99/UR/13-19, > > D?partement de Physique, Facult? des Science de Monastir, > > Avenue de l'Environnement 5019, Monastir Tunisie. > > t?l:+21697487042 > > mourad_fsm at yahoo.fr > > > > > > ________________________________ > > > > -- > ******************************************************** > - 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> > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- ----- Mojtaba Rahimi (Mr.) Master of science -condensed matter, Email: mrahimi93 at gmail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120116/fa761f4a/attachment-0001.htm
