« previous next »
Pages: [1]   Go Down

Author Topic: Becke Johnson  (Read 3608 times)

0 Members and 1 Guest are viewing this topic.

Offline ams_nanolab2

  • New QuantumATK user
  • *
  • Posts: 3
  • Country: gb
  • Reputation: 0
    • View Profile
Becke Johnson
« on: September 27, 2019, 12:28 »
How to use Becke-Johnson XC potentials with ATK 2019?
Logged

Offline Petr Khomyakov

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 1290
  • Country: dk
  • Reputation: 25
    • View Profile
Re: Becke Johnson
« Reply #1 on: September 30, 2019, 11:50 »
Take a look at Section on "Parameters for TB09-MGGA exchange-correlation" in the manual at https://docs.quantumatk.com/manual/Types/ExchangeCorrelation/ExchangeCorrelation.html.
Logged
Pages: [1]   Go Up
« previous next »