[Pw_forum] vacuum level

[yavar pour azar]

Dear Mohamad,

If your slab has no net dipole,
In  your vacuum region ,  in z-direction you will have horizontal line
(with no oscillation)  for average potential.
It's value could be considered as reference energy.


Bests




On Thu, Jan 29, 2015 at 5:43 PM, Mohamad Moadeli <
mohammad.moaddeli at gmail.com> wrote:

> Dear all users,
>
> As it is discussed in this link:
> http://www.quantum-espresso.org/faq/self-consistency/#6.9
> The value of the Fermi energy in the scf.out file is not the real one. For
> calculating work function, one get the potential in the vacuum region
> (average.out file). Is it (the maximum potential of slab) the real vacuum
> level?
>
> Thank you in advance for any help you can provide,
>
> Mohammad Moaddeli
>
> Shahid Chamran University of Ahvaz, Ahvaz, Iran
>
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-- 

Yavar  T. Azar
Computational and theoretical physics group,
AEOI
Tehran, Iran
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