[Wien] about U and J in LDA+U

Souraya GOUMRI-SAID goumri-said at univ-paris12.fr
Fri Apr 14 16:51:46 CEST 2006


Dear Wien2k users,

I have some question about LDA+U parameters, U and J.

1- What is the unity used in the code, is it Ry or eV ?

2- Are this values unversal for any element, for example for the values of U
and J Cu in CuO and YbaCu ?  I found it the litterature equal to 6 eV.

Merry Easter !
joyeuses pâques !

Souraya,




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