[Pw_forum] Electron affinity calculation

[Davide Ceresoli]

Alexander Shaposhnikov wrote:
> I have tried several slab models and the first conduction band
> is still meaningless, i.e. much higher than it should be in real crystall.
> I have not tried to optimize the structures though.

Have you subtracted the value of the vacuum level from the edge
of the conduction band? in a slab geometry the vacuum level is
given by the average hartree potential in the vacuum region,
in between the slab.

HTH

Davide