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.abbasne...@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 > P.O. Box 76169-133 > Tel: +98 34 31322199 > Fax: +98 34 33257434 > Cellphone: +98 917 731 7514 > E-Mail: mohaddeseh.abbasne...@gmail.com > Website: academicstaff.uk.ac.ir/moabbasnejad > <https://urldefense.com/v3/__http://academicstaff.uk.ac.ir/moabbasnejad__;!!Dq0X2DkFhyF93HkjWTBQKhk!Cvx9xcf_wkdaKZcEQxRxJunpYhi-kml6ZjpHI6SQUnD5B8MJzx2cDBSuaCdDEB30t4gy0Q$> > --------------------------------------------------------- > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > > https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!Cvx9xcf_wkdaKZcEQxRxJunpYhi-kml6ZjpHI6SQUnD5B8MJzx2cDBSuaCdDEB2dfZTETw$ > SEARCH the MAILING-LIST at: > https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!Cvx9xcf_wkdaKZcEQxRxJunpYhi-kml6ZjpHI6SQUnD5B8MJzx2cDBSuaCdDEB0TevOxOg$ > -- 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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