[Wien] LSDA+U calculation

[puday at iitk.ac.in]

Dear WIEN2K user,

How one can find out the values of on-site Coulomb repulsion(Hubbard U
)and atomic-orbital intra-exchange energy J (Hund’s parameter) for an atom
in a compound using LSDA+U calculation?
Is there any systematic process?Please suggest me.


Regards,
Uday Paramanik
Dept. of Physics
IIT, Kanpur