[Wien] LDA+U and muffin tin radii
Leonardo Pisani
pisani at itp.uni-frankfurt.de
Fri Feb 4 09:32:25 CET 2005
Dear Wien users,
it is known that the dependence of the LDA+U approx. on the muffin tin radius
of the d-correlation atoms can be crucial as far as the physical nature of
the ground state is concerned.
Therefore, I would like just to ask whether anybody knows the existence of
any public comment (literature) on this point, that is on the delicate
choice of muffin tin radii in LDA+U.
Thank you very much for any suggestion.
Best Regards,
Leonardo Pisani.
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