[Wien] Alignment band
Oleg Rubel
rubelo at mcmaster.ca
Fri May 15 22:42:11 CEST 2020
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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