Dear All, i would like to know how LDA+U works for a non magnetic system in PW.
cheers, G. On Mon, Feb 22, 2010 at 4:22 PM, Gianluca Giovannetti < gianluca.giovannetti at gmail.com> wrote: > Sorry. it stands for "mean-field". > > cheers, > > Gianluca > > > On Mon, Feb 22, 2010 at 4:19 PM, Gabriele Sclauzero <sclauzer at > sissa.it>wrote: > >> >> >> Gianluca Giovannetti wrote: >> > Dear All, >> > >> > i`m performing LDA+U calculations on a non magnetic state (NM). >> > This is my input file: >> [...] >> > >> > i`m wondering how in PW the MF approximation is enforced in NM case. >> >> Please, can you tell me what does MF stand for? >> >> >> Thanks, >> >> >> GS >> >> >> > Can you give me some details? >> > >> > thank you. >> > >> > Gianluca >> > >> > >> > ------------------------------------------------------------------------ >> > >> > _______________________________________________ >> > Pw_forum mailing list >> > Pw_forum at pwscf.org >> > http://www.democritos.it/mailman/listinfo/pw_forum >> >> -- >> >> >> o ------------------------------------------------ o >> | Gabriele Sclauzero, PhD Student | >> | c/o: SISSA & CNR-INFM Democritos, | >> | via Beirut 2-4, 34014 Trieste (Italy) | >> | email: sclauzer at sissa.it | >> | phone: +39 040 3787 511 | >> | skype: gurlonotturno | >> o ------------------------------------------------ o >> _______________________________________________ >> 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/20100222/ac06160e/attachment.htm
