[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,
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
> 


More information about the Wien mailing list