[Wien] energy unit
    Yushan Wang 
    wys at UDel.Edu
       
    Mon Dec  6 17:58:08 CET 2004
    
    
  
hi, it is for a primitive unit cell and the unit based on Ryd.
yushan
On Mon, 6 Dec 2004, Ling Miao wrote:
> Hi,
>
> I have a simple question. Is the total enery in case.scf file for one unit
> cell or for total number of atoms, or others?
>
> Thank you,
> Ling
>
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