VASP - Vienna Ab initio Simulation Package

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

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The user manual of VASP

Documentation of input and output

Advice on compiling the code

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Workshop, tutorials, lectures and more

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Python tool to interface with VASP

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June 28, 2022

A new release of VASP, version 6.3.2, is available for download now.

June 20, 2022

Interested in learning VASP?
Apply for this online workshop (dates: November 15 - 18, 2022)! We will focus on the electronic degrees of freedom.

June 20, 2022

We are seeking two Research Software Engineers to join our dynamic international team.

May 11, 2022

Interested in learning VASP?
Apply for this online workshop (dates: September 27 - 30, 2022)! We will focus on the ionic degrees of freedom.