In addition, if you compare a relative position of band edges in
different material it is useful to check
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg12066.html
and related posts.
I hope it will help
Oleg
Web: http://olegrubel.mcmaster.ca
On 2020-05-15 1:33 p.m., Gavin Abo wrote:
See WIEN2k 19.1 usersguide section "3.11.4 Bandstructure" [1] and [2].
[1] http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf
[2]
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19589.html
On 5/15/2020 9:21 AM, Brik Hamida wrote:
Dear
Im working on 2D semiconductor. I have calculated its electronic
structure using Wien2k .
Actually , I need to plot the corresponding alignment band means the
band edge position which are usually named Homo and Lumo.
Please can you help me and tell me how I can do that.
Thanks in advance .
Best,
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