[Wien] Hubbard U and mBJ

[delamora]

Sorry for this question, it has been answered before;

--------- (2/22/2012)

So most likely mBJ + U gives the better solution, but probably the U  should be smaller than in LDA+U, because mBJ already shifts the  f-states a bit.

--------

but I am still confused, in GW and DMFT calculations the Hubbard U is still a parameter, so;

Does the mBJ needs a not precisely  known parameter?

    Saludos

            Pablo

________________________________


Dear P Blaha and F Tran,

I would like to ask if with the

        modified Becke Johnson potential

one should use the Hubbard U?


        Saludos


                Pablo

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20150501/01f27ede/attachment.html>