Hi Patriot, if you want to get the magnetic moment per atom just add the variable "report = 1" in &SYSTEM, please read the QE manual.
Best PhD stud Arles V. Gil Rebaza IFLP - Argentina 2011/10/5 patriot pershing <science35 at gmail.com> > dear any one: > i have performed scf calculations for Ferromagnetic (FM) and > anti-ferromagnetic (AFM) state of C doped ZnO and i would known how to > calculate the magnetic moment on each atoms in my supercell as well as > electronic charge density for the spin up and down > best regards > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- ###---------> Arles V. <---------### -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20111005/faead63a/attachment.htm