[Pw_forum] About LDA+U

[wangqj1]

 Dear Mansoureh

      I have not got U for this system ,So I want to caculate it .Can you give some advice and examples ? Thank you !
 
 
 
 
 
 
 Dear Wang
have you got U for this system?or do you want to calculate it?
Mansoureh

>
>  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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