ABINIT Discussion Forums

Hello
I want to calculate the U and J values for semi-fluorinated graphene, can we calculate U and J values using Cococcioni's approach and cRPA in the case of p orbital?
Best regards
Fatima Zahra

Hello Fatima,
Hummm, I think p-orbital has not been implemented. Bernard do you confirm?
Best wishes,
Eric

Dear Fatima,
The p-orbitals should be working, did you tried and this was not working? If not, please use the latest version of Abinit.
Best wishes,
Eric