[Pw_forum] Absolute energy values

[Anand Chandra]

Hi Vipul,

You can get the HOMO, LUMO and Fermi levels with respect to the vacuum
level if you do a slab calculation and plot the average potential of the
slab. There are examples available for this in the default examples
directory.

Regards,
Anand Chandrasekaran
Post-doctoral researcher
University of Connecticut

On Wed, Mar 22, 2017 at 1:25 AM, Vipul Shivaji Ghemud <
vipul at physics.unipune.ac.in> wrote:

> Hi all,
> how do we get absolute energy values (HOMO, LUMO, Fermi) in QE? From what
> I understand the values in the output are relative values and not
> absolute. In VASP (other DFT based software) there is a formula for
> getting absolute values, is there any solution in QE also?
>
>
> --
> Vipul S. Ghemud
> Ph.D. student.
> Dept of Physics,
> SPPU, Ganeshkhind,
> Pune- 411007.
>
>
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