Help with Adding 𝐾 and 𝐾 ′ Points in BandStructure

[muhammadishaq]

Hi QuantumATK Community,

I hope you are all doing well! I’m new to using QuantumATK (version 2024) and currently trying to learn how to set up and run jobs using the software. I’ve encountered an issue and would greatly appreciate your guidance.

I am attempting to include both 𝐾 and 𝐾′ points in the band structure calculation. While 𝐾 is available as a built-in high-symmetry point, 𝐾′ is not, and when I try to add it manually, I get an error.

Could someone guide me on how to properly add 𝐾′ to the band structure calculation and resolve this issue? Any advice or step-by-step instructions would be greatly appreciated!

Thank you for your help in advance!

[muhammadishaq]

I am talking about this band structure how to make it with quantumATK with spin valleys?

[AsifShah]

Dear muhammadishaq,

Kindly use fatbandstructure in quantumatk instead of bandstructure.
Click on fatbandstructure and select project on spin.

[muhammadishaq]

Thanks a lot.