Nanotube_Band structure_DOS |
- Date: 2023/10/04 15:48
- Name: Amina
<aminacharef60@gmail.com>
- Dear developers,
I am trying to study the band structure and DOS of optimized pristine (15.0) zigzag carbon nanotube, according to literature, zigzag carbon nanotubes multiples of three are metallic.
My result.....> https://ibb.co/KrC5Hc8
The result I obtained does not match the literature (figure 4) ....> https://www.tandfonline.com/doi/abs/10.1080/1536383X.2017.1373642
I couldn't copy here my input file due to the large number of atoms, can I send it to you by email?
I wish you can help me to fix this issue?
PS: I got the same problem with zigzag (12.0) CNT
Thank you very much.
Best regards,
Amina.
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