QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ams_nanolab2 on September 27, 2019, 12:28

Title: Becke Johnson
Post by: ams_nanolab2 on September 27, 2019, 12:28

How to use Becke-Johnson XC potentials with ATK 2019?

Title: Re: Becke Johnson
Post by: Petr Khomyakov 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.