Dear Wang you can find the way of U calculation in first Vlab in lecture part and Matteo Cococcioni' thesis. good luck Mansoureh On Thu, Oct 9, 2008 at 11:04 AM, wangqj1 <wangqj1 at 126.com> wrote:
> > Dear Mansoureh > I have not got U for this system ,So I want to caculate it .Can you > give some advice and examples ? Thank you ! > > > > > > > Dear Wang > have you got U for this system?or do you want to calculate it? > Mansoureh > > >* > *>* 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 > *>* ** > *>* > * > > _______________________________________________ > 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/20081013/a9fbd325/attachment.htm
