Top Page > Browsing
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.
e
Page: [1]

Thread Title (must) Move the thread to the top
Your Name (must)
E-Mail (must)
URL
Password (used in modification of the submitted text)
Comment (must)

   Save Cookie