[Wien] LDA+U

[reza osaty]

Dear Yousong Gu ;

 I think you must find U & J with comparing result with experimental
reported . for example with absorption spectra

Good Luck .


On 12/8/05, Yousong Gu (顾有松) <yousongu at mater.ustb.edu.cn> wrote:
>
> Dear Wien Users:
>
> When we use LDA+U for transition metal's, values for U,J pairs are needed.
> Is there any offical values? Or we have to try and select the best values
> that give good results?
>
> sincerely
> Yousong Gu
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