I saw in a paper that finite deformation NEB was performed using Lammps. It seems to have utilized VSMP, but it is not in the manual, so I have a question. I want to know specifically how to do DFT-NEB calculations for the process in which the lattice changes. In particular, most NEBs in which the lattice changes have a stress-strain relationship, but I want to perform NEBs in which the structure changes through heat. Is there any way to do this?
Your changes to get help will be massively improved if you post to the correct category. This is a question about LAMMPS and not the Materials Project.