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

delamora delamora at unam.mx
Wed Apr 15 23:15:26 CEST 2015


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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