Author Topic: Help with Adding 𝐾 and 𝐾 ′ Points in BandStructure  (Read 8244 times)

0 Members and 1 Guest are viewing this topic.

Offline muhammadishaq

  • New QuantumATK user
  • *
  • Posts: 3
  • Country: us
  • Reputation: 0
    • View Profile
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!

Offline muhammadishaq

  • New QuantumATK user
  • *
  • Posts: 3
  • Country: us
  • Reputation: 0
    • View Profile
Re: Help with Adding 𝐾 and 𝐾 ′ Points in BandStructure
« Reply #1 on: February 25, 2025, 19:10 »

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

Offline AsifShah

  • QuantumATK Guru
  • ****
  • Posts: 177
  • Country: in
  • Reputation: 2
    • View Profile
Re: Help with Adding 𝐾 and 𝐾 ′ Points in BandStructure
« Reply #2 on: March 1, 2025, 14:47 »
Dear muhammadishaq,

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

Offline muhammadishaq

  • New QuantumATK user
  • *
  • Posts: 3
  • Country: us
  • Reputation: 0
    • View Profile
Re: Help with Adding 𝐾 and 𝐾 ′ Points in BandStructure
« Reply #3 on: March 1, 2025, 19:40 »
Thanks a lot.