« previous next »
Pages: [1]   Go Down

Author Topic: Spin-orbit coupling in 12.8  (Read 2600 times)

0 Members and 1 Guest are viewing this topic.

Offline Ferrero1985

  • New QuantumATK user
  • *
  • Posts: 1
  • Country: cn
  • Reputation: 0
    • View Profile
Spin-orbit coupling in 12.8
« on: January 17, 2013, 17:58 »
Does any one test the performance of spin-orbit coupling in the new version 12.8? I have tested an example, just use the "exchange_correlation = NCLDA.PZ", but the result looks like the same with that without spin-orbit coupling. Thank you.
Logged

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5576
  • Country: dk
  • Reputation: 96
    • View Profile
    • QuantumATK at Synopsys
Re: Spin-orbit coupling in 12.8
« Reply #1 on: January 17, 2013, 22:25 »
Spin-orbit coupling is not included in 12.8, only the basic noncollinear model. Also please note that there are some unresolved known bugs in the NC model in 12.8. Some will be fixed in 12.8.1, but not all - we ask users to be a little bit patient and wait for ATK 13.8 to use NC properly. Preview versions of that will be available by the early summer, and in the final 13.8 release there will be spin-orbit too.
Logged
Pages: [1]   Go Up
« previous next »