[Pw_forum] Pw_forum] Shift of Energy

[Paolo Giannozzi]

On Mon, 2011-04-04 at 13:56 -0300, Eduardo Ariel Menendez Proupin wrote:

> Density functional theory: a practical introduction
>   David S. Sholl,Janice A. Steckel

interesting reference!

> 72/8
> 9.00000000000000000000
> 694/9
> 77.11111111111111111111
> 694/9-76.276
> .83511111111111111111
> So, where does the 7 Ry difference arise?

694-76.276*9=7.516 :-)

P.

-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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