Hi - you can find here an in-depth discussion:
https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.8.014007
nicola
On 30/04/2024 09:45, Zimmi Singh wrote:
Dear Developers and Users,
I am currently working on transition metal dichalcogenides and n
Dear Developers and Users,
I am currently working on transition metal dichalcogenides and need to
determine the appropriate Hubbard U values for my work. My question is
whether the U value varies based on the type of magnetic order
(paramagnetic, ferromagnetic, or antiferromagnetic) and the struct
