[Pw_forum] Energy Reference in Quantum Espresso
mahk74 at gmail.com
Sun May 22 08:51:56 CEST 2016
If I understood you will, then I guess the energy is measured with respect
to the average electrostatic potential in pwscf QE code. For methods
whereby the energy is referenced to the vacuum level it would be better to
have a look at the Work function example in the example folder for the
post-processing (pp) package
Dept of Physics
On 21 May 2016 at 17:37, Kanak Datta <kanakeee08 at gmail.com> wrote:
> Dear researchers
> pwscf code gives us the energy levels with respect to fermi energy. How do
> I get the energy levels with reference to vacuum for an unknown system?
> Sincerely yours
> EEE, BUET
> *** Forgot to add affiliation in the last mail. I beg your pardon.
> Pw_forum mailing list
> Pw_forum at pwscf.org
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users