Author Topic: Spin-orbit coupling  (Read 2352 times)

0 Members and 1 Guest are viewing this topic.

Offline dong0216

  • Regular QuantumATK user
  • **
  • Posts: 23
  • Country: cn
  • Reputation: 0
    • View Profile
Spin-orbit coupling
« on: January 17, 2019, 15:22 »
Dear all
           I have a question about Spin-orbit coupling. When i calculate the SOC, i am not sure how to set the initial state? Whether the initial spin state is necessarily related to SOC? 
          Thanks all.

Offline Ulrik G. Vej-Hansen

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 425
  • Country: dk
  • Reputation: 8
    • View Profile
Re: Spin-orbit coupling
« Reply #1 on: January 18, 2019, 13:19 »
This tutorial describes the basic workflow for an SOC calculation, including how to start from a collinear spin-polarized state: https://docs.quantumwise.com/tutorials/spin_orbit_bandstructures/spin_orbit_bandstructures.html