[Wien] Regarding vacuum level in WIEN2k

[Tran, Fabien]

I made a mistake. This should be: The vacuum level (related to the work function) has been discussed ...

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From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Tran, Fabien <fabien.tran at tuwien.ac.at>
Sent: Friday, October 16, 2020 5:32 PM
To: A Mailing list for WIEN2k users
Subject: Re: [Wien] Regarding vacuum level in WIEN2k

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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Faculty of Physics,
Shahid Bahonar University of Kerman,
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P.O. Box 76169-133
Tel: +98 34 31322199
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Cellphone: +98 917 731 7514
E-Mail:     mohaddeseh.abbasnejad at gmail.com
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