The Vienna Ab initio Simulation Package: atomic scale materials modelling from first principles. Read more

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About What is 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 …

Install VASP and find the tutorial that suits you. You will need the VASP executable in your system path and a working directory in which you run the tutorials.

Tutorials New to VASP? With our detailed tutorials you can learn to run your VASP calculations

VASP looks in the current directory for four main input files, i.e., POSCAR, INCAR, KPOINTS and POTCAR. The general format of each input file is explained in details in the linked articles that lead …

Analyze VASP output The output files written by VASP depends on the kind of calculation you are running. py4vasp is the most seamless tool to extract data from VASP calculations. It is a Python …

Resources Interested in even more ab-initio tools? Many groups develop tools interacting with VASP, here we list some of them

Step 1: Download Download the source code of VASP from the VASP Portal, copy it to the desired location on your machine, and unzip the file to obtain the folder /path/to/vasp.x.x.x and reveal its …

NEW RELEASE: VASP.6.4.0 A new release of VASP is available for download now! This release differs from VASP.6.3.2 by the following changes/additions (amongst others): DFT and hybrid functionals: …