13 September 2015

## Introduction

VASP The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. VASP computes an approximate solution to the many-body Schrödinger equation, either within density functional theory (DFT), solving the Kohn-Sham equations, or within the Hartree-Fock (HF) approximation, solving the Roothaan equations. Hybrid functionals that mix the Hartree-Fock approach with density functional theory are implemented as well. Furthermore, Green's functions methods (GW quasiparticles, and ACFDT-RPA) and many-body perturbation theory (2nd-order Møller-Plesset) are available in VASP. Creating plots is one of the most important jobs you have to do to synthesize all your results. Good plots will give your work the impact that needs. One has to be very carefull to choose the type of plot you will use. Here are some suggestions to help you make good looking plots.

**Index**

- Required Files

- Volume relaxation

- Surface relaxation

- Molecule relaxation

- Surface + Molecule Relaxation (Frozen Coordinates)

- Band Structure

- Density of States,