[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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