Author Topic: Define a custom dictionary for NRLTightBindingParameters  (Read 3947 times)

0 Members and 1 Guest are viewing this topic.

Offline sukhito teh

  • Heavy QuantumATK user
  • ***
  • Posts: 51
  • Country: tw
  • Reputation: 1
    • View Profile
Dear developers and users,
May I know how do I define NRLTightBindingParameters instead of parsing from the file?

Thank you for your attention.

Offline sukhito teh

  • Heavy QuantumATK user
  • ***
  • Posts: 51
  • Country: tw
  • Reputation: 1
    • View Profile
Re: Define a custom dictionary for NRLTightBindingParameters
« Reply #1 on: Yesterday at 22:42 »
Can someone help me with this problem? I am using QATKV-2023.12-SP1. I think the on-site potential used in NRLHamiltonianParametrization cannot be reproduced in SlaterKosterHamiltonianParametrization.
Thank you.