[Wien] Choice of Coulomb Energy

[Uday]

Dear Wien2k users and Prof. Blaha,
I am working on a "Ce" based magnetic system. I tried to do LSDA+U with
different values of U from 0 to 6 eV for Ce-4f sate. U=0 eV gives the
minimum energy and total energy for the system increases as we increase U
value. Also the DOS for Ce-4f keeps on shifting with increasing U. My
question is how to choose a correct U value for a system when a
spectroscopic data is missing?
Any help will be appreciated.

Regards,
Uday
Dept. of Physics
IIT Kanpur