QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: rose on December 18, 2017, 16:11

Title: on linear response approach for finding hubbard
Post by: rose on December 18, 2017, 16:11

Hi all,
I would wonder if it is possible to apply linear response approach (Phys. Rev. B 71 035105) to find Ueff in hubbard of d orbitals using atk.
thanks
rose

Title: Re: on linear response approach for finding hubbard
Post by: Petr Khomyakov on December 19, 2017, 10:13

In the ATK, the Hubbard U is a free parameter. I guess it is, in principle, possible to combine the approach you have mentioned with the ATK tools.