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 < [email protected]> 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 > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Yavar T. Azar Computational and theoretical physics group, AEOI Tehran, Iran
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