QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Dongzhe on April 8, 2024, 16:53

Title: LDA+U in noncollinear spin
Post by: Dongzhe on April 8, 2024, 16:53

Dear ATK experts,

In QuantumATK-V-2023.12, is it possible to model LDA+U with noncollinear spins?

Thanks,
Best regards,
Dongzhe (CNRS, France)

Title: Re: LDA+U in noncollinear spin
Post by: Anders Blom on April 12, 2024, 23:46

Should be possible for Normconserving LCAO, yes.