Re: [Pw_forum] vacuum level

2015-01-29 Thread 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.moadd...@gm

[Pw_forum] vacuum level

2015-01-29 Thread Mohamad Moadeli
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 potenti