[Pw_forum] Confused on nat definition

[degironc]

nat = number of atoms in the simulation cell.
silicon has two atoms in the  (fcc) Wigner-Seitz cell.
In a simple cubic (a supercell),  nat should be 8.

stefano
 

Luke Thulin wrote:

> Hello,
>
> This may seem silly, but I'm confused as to what exactly the number of 
> atoms in a unit cell is (nat).  For example, the Silicon example says 
> that nat is only two, yet a diamond structure such as this should have 
> much more than two atoms per unit cell.  Is the definition of nat the 
> number of basis vectors?
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