[Pw_forum] About LDA+U

[Mansoureh Pashangpour]

Dear Wang
you can find the way of U calculation in first Vlab in lecture part and
Matteo Cococcioni'
thesis.
good luck
Mansoureh
On Thu, Oct 9, 2008 at 11:04 AM, wangqj1 <wangqj1 at 126.com> wrote:

>
>  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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>
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