QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Roc2019 on September 26, 2019, 15:55

Title: Berry curvature
Post by: Roc2019 on September 26, 2019, 15:55

Dear Sir,
Can ATK (2019.3) calculate the Berry curvature?  Thanks.

Title: Re: Berry curvature
Post by: Petr Khomyakov on September 30, 2019, 11:46

You may compute Polarization and Born effective charges using the Berry phase if that is what you mean by computing Berry curvature, https://docs.quantumatk.com/manual/Types/Polarization/Polarization.html. In the GUI, there are two analysis objects that can be used to compute Polarization and Born effective charges.