[Wien] LDA+U

[liuzw03 at st.lzu.edu.cn]

Thank you very much!!!
I am so appreciated with your help.
But I wonder could we get the information of localization of d-electrons from
WIEN2k files after SCF calculation? In other words, how could we know the
d-electrons are localized?
 
> LDA or GGA is the method of choice for 'common' situations. Only if more
> than moderate correlations are present (typically in f-electron
> materials and transition metal oxides, where respectively the f- and the
> d-electrons are rather localized and therefore correlated), LDA+U should
> be considered.


Yours,
Zaiwen