Dear Wang have you got U for this system?or do you want to calculate it? Mansoureh
2008/7/6 wangqj1 <wangqj1 at 126.com>: > > Dear pwscf users > > I want to do some LDA+U caculations of Mn adoped ZnO, but I don't know > how to set > > the parameter of Hubbard_U(I) , *Does anyone know the Hubbard U parameter > of ZnO and Mn ?* > * * > *Any help will be greatly appreciated.* > ** > > Sincerely. > > Wang > ** > > > > ------------------------------ > ??????3D??"??2"?6?6????? <http://tx2.163.com/fab.html> > _______________________________________________ > 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/20080706/979bb283/attachment.htm
