Dear ASE Users,
I am interested in running NEB calculation using Vasp as a calculator.
So far I am not able to run this calculation in parallel. Please share how you set up the parallelization of the vasp neb. What MPI-enabled Python interpreter do you use to run such calculations? If I install gpaw-python (as suggested in the documentation Nudged elastic band — ASE documentation) would I still be able to invoke Vasp instead of gpaw calculator? Any examples python and bash scripts are greatly appreciated!