Author Topic: Becke Johnson  (Read 1910 times)

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Offline ams_nanolab2

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Becke Johnson
« on: September 27, 2019, 12:28 »
How to use Becke-Johnson XC potentials with ATK 2019?

Offline Petr Khomyakov

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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.