[Wien] Regarding vacuum level in WIEN2k

[Laurence Marks]

Unfortunately the Fermi level in Wien2k (and all other levels) are not
referenced to vacuum. The reason is somewhat technical, and involves
subtraction of a mean inner potential to avoid some numerical issues. To
get a reference you will need to do a surface calculation with a true
vacuum and use that. Most people do not bother and just reference to the
Fermi level/energy.

On Fri, Oct 16, 2020 at 10:14 AM Mohad Abbasnejad <
mohaddeseh.abbasnejad at gmail.com> wrote:

> Dear experts,
>
> I was wondering if you guide me whether the Fermi energy is referred to
> the vacuum level or not?
> In other words, how is it possible to obtain the vacuum level in WIEN2k
> calculations?
>
> Thanks in advance for your help.
>
> Regards,
> Mohaddeseh
>
> --
> ---------------------------------------------------------
> Mohaddeseh Abbasnejad,
> Assistant Professor of Physics,
> Faculty of Physics,
> Shahid Bahonar University of Kerman,
> Kerman, Iran
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
Corrosion in 4D: www.numis.northwestern.edu/MURI
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
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