[Wien] Regarding vacuum level in WIEN2k

[Gavin Abo]

_Additional links to add to that of the previous post of possible interest_

Fermi energy:

http://www.wien2k.at/reg_user/faq/neg_fermi_energy.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12066.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12126.html

VZERO:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-June/002822.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17622.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg01143.html


On 10/16/2020 9:32 AM, Tran, Fabien wrote:
> 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
>
>   --
>
> ---------------------------------------------------------
> 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.abbasnejad at gmail.com
> Website:  academicstaff.uk.ac.ir/moabbasnejad
> ---------------------------------------------------------

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