[Pw_forum] Raman intensity and LDA+U

[Noah_Park]

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