This is a simple python code with GUI for extracting the energy in the NEB calculation with VASP and plotting the energies. Usage: just run: python neb.py then click on the "Choose Directory" button and choose the rood directory of your NEB calculations (or any folder contains of OUTCAR files).
aerezaee / neb-vasp-extractor Goto Github PK
View Code? Open in Web Editor NEWThis is a simple python code with GUI for extracting the energy in the NEB calculation with VASP and plotting the energies.
License: GNU General Public License v3.0