on behalf of Mohad Abbasnejad
>
> 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 l
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03183.html
From: Wien on behalf of Mohad Abbasnejad
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
/wien@zeus.theochem.tuwien.ac.at/msg17608.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03183.html
From: Wien on behalf of Mohad
Abbasnejad
Sent: Friday, October 16, 2020 5:14 PM
To: A Mailing list for WIEN2k users
Subject: [Wien] Regarding vacuum level in WIEN2k
Dear
@zeus.theochem.tuwien.ac.at/msg17608.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg03183.html
From: Wien on behalf of Mohad
Abbasnejad
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
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 t
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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