[Wien] a strange question about GGA+U
    Stefaan Cottenier 
    Stefaan.Cottenier at fys.kuleuven.be
       
    Sun Sep  2 09:08:19 CEST 2007
    
    
  
>      Thank you for your time and clear answer, i want to know   
> whether the results depend on case.clmcorup/dn, case.clmvalup/dn and  
>  case.clmscup/cn files. I think they shouldn't, but the results seem  
>  to depend on them.
Indeed, they don't. What makes the results different in your cases is  
the presence of a converged dmat file in one case, and a different  
(initial) dmat file in the other case.
Stefaan
Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
    
    
More information about the Wien
mailing list