This is a matter of choice. Usually people choose the Fermi level for the
convenience of separating valence from conduction states, but of course you
can always set some other value to the zero of energy in your system. It
will only depend on the relevant quantities of your problem.
Marcos
On Thu
Siesterer's,
What exactly is the zero of the energy scale when you do a DOS/PDOS calculation?
The reason is, I have metal slabs, and I've calculated their work
functions (I'm not using MACROAVE, though). I want then to present DOS
(or rather the surface PDOS) of these slabs, and I want to make th
