[Wien] Regarding vacuum level in WIEN2k

[Tran, Fabien]

Hi,

No. The Fermi energy printed in case.scf (:FER) is the energy of the highest occupied orbital. The Fermi level (related to the work function) has been discussed here:
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09454.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17608.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03183.html


From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Mohad Abbasnejad <mohaddeseh.abbasnejad at gmail.com>
Sent: Friday, October 16, 2020 5:14 PM
To: A Mailing list for WIEN2k users
Subject: [Wien] Regarding vacuum level in WIEN2k
  
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

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Mohaddeseh Abbasnejad, 
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