The VASP Manual

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

Category	subtopics (amongst others)
Electronic Minimization	Davidson, RMM-DIIS, Conjugate-gradient, preconditioning, mixing.
XC Functionals	LDA, GGA, metaGGA, HF/DFT hybrid functionals, vdW functionals.
Structural Optimization	Ionic mimimization methods.
Molecular Dynamics	Barostats, thermostats, ensembles, different MD methods.
Machine Learning	Machine-learned force fields.
Lattice Vibrations	Phonons, electron-phonon interactions.
Dielectric Properties	Static and frequency dependent dielectric properties, Berry phases, spectroscopy (UV, VIS, X-ray).
Linear Response	Static dielectric properties, phonons form linear response.
NMR	Chemical shifts, electric field gradients.
Many-Body Perturbation Theory	ACFDT, BSE, GW, MP2, CRPA.
Magnetism	Spin-orbit coupling, non-collinear magnetism.
Defects	Dipole corrections for defects in solids.
Molecules	Monopole, dipole, and quadrupole corrections.
Transition States	Elastic band method, improved dimer method.
Wannier Functions	Interfacing to Wannier90.
Performance	Parallelization, memory management.
Calculational issues	Most important parameters, typical sources of errors.
Theoretical Background	DFT, PAW.
VASP6	Features that will only be available in VASP 6.X.

Support

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: vasp.materialphysik@univie.ac.at.

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

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