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

wangqj1 wangqj1 at 126.com
Sun Jul 6 10:28:58 CEST 2008


 
 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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