[Wien] LSDA+U

[puday at iitk.ac.in]

Dear WIEN2K user,
I am doing LSDA+U calculation of the compound EuFe2As2. How one can decide
the values of on-site Coulomb repulsion(Hubbard U )and atomic-orbital
intra-exchange energy J (Hund’s parameter) for the atoms 'Eu' and 'Fe' in
this particular compound?


Regards,
Uday
Dept of Physics.
Indian Institute of Technology(IIT),Kanpur