[Wien] Value of the Hubbard U and Hund exchange J

[tran at theochem.tuwien.ac.at]

Hi,

To my knowledge there is no simple AND reliable way to calculate U and J
(except tuning the values until agreement with experiment is reached).

F. Tran

On Wed, 15 Apr 2015, delamora wrote:

> Dear WIEN2k community,
>    I am interested in evaluating the Hubbard U and sometime ago I tried;
>            WIEN2k-Textbooks:
>                Notes about constraint LDA calculations to determine U
>                by G. Madsen and P. Novak (not updated)
> but I did not get very good results, U was very small,
> Now I found;
>                Vaugier, Jiang and Biermann PRB 86, 165105 (2012)
> where they evaluate the
>                Hubbard U and Hund exchange J
> but it seems that the programs to do this are not of public domain yet.
>
>     Does anyone know if there is a simple way to evaluate these constants?
>
>            Saludos
>
>                        Pablo de la Mora
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