[Wien] mBJ + U ?

wanxiang feng fengwanxiang at gmail.com
Wed Jul 21 10:09:29 CEST 2010


Dear Tran and Blaha,

On theoretical background and practical program code, is it possible
to do scf and bandstructure calculation using mBJ+U(just like the
LDA+U) for some strong correlation system?
If it is feasible, how to determine the U value, is it the same as the
U in LDA+U scheme? Could you give me some literatures about this?

Thank you,

Feng,


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