[Pw_forum] [PW_Forum]Ef calculation and comparison with tight-binding

[Paolo Giannozzi]

Vit wrote:

> I've got close band structure, but Ef is located at 11 eV, instead to 
> -9,5 eV where it is in a paper.

absolute values of eigenvalues are not well-defined in a crystal
with periodic boundary conditions.

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy