Dear All; I would add something more to Zyle's question. If only some bands are strongly localized and most others are delocalized, What is the decent way to give a "U" parameter to a selected bands ?? Hope to getting an answer from experienced person in LDA+U.
> Dear Prof. de Gironcoli > > Would you please give a description on how to use > PWSCF to do a LDA+U calculation in detail, or tell me > where can I find it? Thanks. > > sincerely > zyli > Best regards, Noa
