[QE-users] Band Structure of Armchair CNT

2021-08-04 Thread ALVANH ALEM PIDO
Hello, I have calculated the band structure of (9,9) CNT by defining it as a tetragonal crystal in reciprocal space. I found that only the Gamma-Z is significant while the other paths such as gamma-X-M-..so on are showing flat bands. Is this normal? Thank you. Regards, Alvanh Alem G. Pido MS i

[QE-users] CNT band structure

2021-07-27 Thread ALVANH ALEM PIDO
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