I've been using IB3ION =3 and POTIM =0.1 for CI-NEB B3LYP calculations with EDIFFG= -0.05.
Which optimizer is recommended for a climbing image NEB run with hartree fock?
Climbing Image NEB with Hartree Fock
Moderator: moderators
Re: Climbing Image NEB with Hartree Fock
I don't expect any significant dependence between the NEB optimizer and the level of the electronic structure calculation.