The VASP Manual

About this manual

Absolute beginners should read the Getting started section and preferably work through the VASP workshop material that can be found in that particular section.

The Howto's can be viewed as sort of a FAQ list of questions "How do I perform ... calculations with VASP".

Users looking for information on particular input parameters/files should follow the links in the Input section

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Getting started

This section should contain links to pages that deal with installation of VASP, and some getting started examples. Probably the latter should be based on the VASP workshop material.

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Howto's

This section directs the reader to a number of pages that present clearcut procedures describing how to do specific calculations. For instance, how to perform band structure calculations, etc etc.

GW calculations

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Input

As a minimal setup, VASP requires the user to prepare the following input files:

INCAR, KPOINTS, POSCAR, and POTCAR.

If present (in the directory were the calculation runs) the following output files of previous runs may be read as restart information:

CHGCAR and/or WAVECAR.

Additionally, some features of VASP require

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Output

The main output file of VASP is the OUTCAR file.

The OSZICAR file ...