Vasp¶
Vasp is a a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles.
This page contains scripts for vasp post treatment.
Useful tools on web¶
- VTST (Transition State Tools for VASP)
- It is recommended to refer to lipai’s blog for NEB calculation.
- VTSTscripts
- VASPKIT
- p4vasp
- Pymatgen (Python Materials Genomics)