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

[wangqj1]

 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

 
 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080706/c59131c1/attachment.htm