[Wien] LSDA+U calculation

[Ramkumar Thapa]

Dear Dr. Uday,
The article by Madsen and Novak "Calculating the effective U in APW methods.
NiO" might help you.
All the best,
R.K.Thapa
Mizoram University
============
On Fri, Aug 27, 2010 at 9:47 PM, <puday at iitk.ac.in> wrote:

> 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
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