Introduction

Vienna Ab-initio Simulation Package (VASP) is a software package developed by the Hafner team of the University of Vienna for electronic structure calculation and quantum mechanics-molecular dynamics simulation. VASP is one of the most popular commercial software used in material simulation and computational physical science study.

For more information about VASP, visit the VASP official website.

Programming language: Fortran

Brief description: electronic structure calculation and quantum mechanics-molecular dynamics simulation.