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The VASP Manual

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Getting started

How to Install VASP First install VASP.
Workshops The collection of workshops is a good place for the introduction to the basics of VASP.
Lectures The collection of lectures is a good place to start as well.
Tutorials and Examples The collection of tutorials and examples is a good place to learn the usage of VASP.

Input and Output

INCAR tags All INCAR tags at a glance.
Input Files
Output Files

Featured topics

Electronic Minimization PAW, mixing, etc.
XC Functionals LDA, GGA, metaGGA, hybrids, vdW functionals, etc.
Structural Optimization Ionic mimimization methods, etc.
Molecular Dynamics Barostats, thermostats, ensembles, different MD methods, etc.
Dielectric Properties Static and frequency dependent dielectric properties, Berry phases, spectroscopy (UV, VIS, X-ray), etc.
Linear response Static dielectric properties, phonons form linear response, etc.
NMR Chemical shifts, electric field gradient, etc.
Many-Body Perturbation Theory ACFDT, BSE, GW, MP2, CRPA etc.
Magnetism Spin-orbit coupling, non-collinear magnetism, etc.
Defects Dipole corrections for defects in solids, etc.
Molecules Monopole, dipole and quadrupole corrections, etc.
Transition States Elastic band method, improved dimer method, etc.
Wannier Functions Interfacing to Wannier90, etc.
Performance Parallelization, GPU, etc.
Theoretical Background Important relations covering DFT, PAW, etc.
Calculational issues Most important parameters, typical sources of errors, etc.

Visualisation and Postprocessing

Here we can link to postprocessing programs and script, visualization tools, etc etc.


If you have questions or run into trouble, please have a look and/or post a question at the VASP forum.

Requests for support from the VASP group are to be directed WITHOUT EXCEPTION to the official VASP email address:

Please note: we offer support on a courtesy base only, not as a contractual service.

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