What INCAR file do you use for the ISIF=3 relaxation of your general structure, when you set IBRION = 3 and POTIM =0 with the goals to perfom a NEB?

I am trying to produce NEB simulations with IBRION = 3 and POTIM = 0 in order to disable the minimizer from VASP. I think the IOPT = 3 optimizer from VTST is optimal for my desired NEB simulation....

31 August 2023 9,193 0 View