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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