[QE-users] CNT band structure

[Lorenzo Paulatto]

The bands should be flat, except in the direction of the tube. Hard to say more without any detail.

kind regards
--
Lorenzo Paulatto - Paris
On Jul 28 2021, at 5:04 am, ALVANH ALEM PIDO <alvanhalem.pido at g.msuiit.edu.ph> wrote:
> Hello,
>
>
>
> I am having a problem with my band structure calculation in quantum espresso. When I calculated the band structure in the gamma-Z direction for my armchair CNT, the result was okay (i.e., the dirac cones are near the Z). However, when I calculated gamma-X, there is no more dirac cones (i.e., no intersection of bands in the fermi level). The bands are just plain straight lines in the Gamma-X direction. What might be wrong?
>
>
> Thank you very much.
>
>
>
>
> Alvanh Alem G. Pido
> MS Physics student
> MSU-Iligan Institute of Technology
> ---
> DISCLAIMER AND CONFIDENTIALITY NOTICE The Mindanao State University-Iligan Institute of Technology (https://link.getmailspring.com/link/CA566B94-3D37-4E2B-8D2E-E9998718C053@getmailspring.com/0?redirect=http%3A%2F%2Fwww.iit.edu.ph%2F&recipient=dXNlcnNAbGlzdHMucXVhbnR1bS1lc3ByZXNzby5vcmc%3D) (MSU-IIT) makes no warranties of any kind, whether expressed or implied, with respect to the MSU-IIT e-mail resources it provides. MSU-IIT will not be responsible for damages resulting from the use of MSU-IIT e-mail resources, including, but not limited to, loss of data resulting from delays, non-deliveries, missed deliveries, service interruptions caused by the negligence of a MSU-IIT employee, or by the User's error or omissions. MSU-IIT specifically denies any responsibility for the accuracy or quality of information obtained through MSU-IIT e-mail resources, except material represented as an official MSU-IIT record. Any views expressed in this e-mail are those of the individual sender and may
 not necessarily reflect the views of MSU-IIT, except where the message states otherwise and the sender is authorized to state them to be the views of MSU-IIT. The information contained in this e-mail, including those in its attachments, is confidential and intended only for the person(s) or entity(ies) to which it is addressed. If you are not an intended recipient, you must not read, copy, store, disclose, distribute this message, or act in reliance upon the information contained in it. If you received this e-mail in error, please contact the sender and delete the material from any computer or system.
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210728/2da0217b/attachment.html>