[Pw_forum] How to set the parameter of U in LDA+U

[Mansoureh Pashangpour]

Dear Wang
have you got U for this system?or do you want to calculate it?
Mansoureh

2008/7/6 wangqj1 <wangqj1 at 126.com>:

>
>  Dear pwscf users
>
>     I want to do some LDA+U caculations of Mn adoped ZnO, but I don't know
> how to set
>
> the parameter of Hubbard_U(I) , *Does anyone know the Hubbard U parameter
> of ZnO and Mn ?*
> *   *
>  *Any help will be greatly appreciated.*
> **
>
> Sincerely.
>
> Wang
> **
>
>
>
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