[Wien] LDA+U

[Sergey Streltsov]

Dear Wien users.

I've got a question on LDA+U.
I would like to get different spin state configurations (High, Intermediate 
and low spin state) for a some compound in LDA+U and after that comare their 
energies. 

Thus, I need to change appropriate occupation or orbital potential matrices. 
It is obvious that changing of the orbital potential matrices is an easiest 
way, because in this case I should not think about a total number of 
electrons conservation. I've just tried to get low spin state from usuall 
LDA+U in Wien by a simple copying of case.vorbdn to case.vorbup. But it does 
not work.

So, where could I change Potential Correction Matrices in LDA+U
by hands ?


Best regards, 

Serg Streltsov.
Institute of Metal Physics.
Ekaterinburg, Russia.