[Wien] about U and J in LDA+U

[Stefaan Cottenier]

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

>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.
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Not at all... Especially U can be very materials-dependent, and you have 
to decide for yourself which U is suitable for your case (e.g. by 
calculating some properties that are experimentally well-known as a 
function of U). This is sometimes a nightmare, and it is not guaranteed 
that a unique answer exists.

Stefaan


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