The VASP Manual
Getting started
VASP6 Features that will only be available in VASP.6.X. 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.
Featured topics
Category subtopics (amongst others) Theoretical background DFT, PAW method, vdW, spectroscopy, MD. Calculation setup Installation, input files, output files, INCAR tags, etc. Electronic minimization Davidson, RMM-DIIS, Conjugate-gradient, preconditioning, density mixing, etc. Electronic ground-state properties Band structure, density of states, etc. Spin-density-functional theory Spin-orbit coupling, noncollinear magnetism, constraint magnetism, etc. Exchange-correlation functionals LDA, GGA, metaGGA, Hybrid functionals, vdW functionals. Ionic mimimization Structural optimization, ionic mimimization methods. Symmetry and structure Crystal symmetry, reciprocal space, surfaces, pair-correlation function for liquids, etc. Molecular dynamics Barostats, thermostats, ensembles, etc. Ensemble properties Monitoring geometric parameters, pair-correlation function, etc. Machine-learned force fields Training and application of force fields. Phonons Lattice vibrations, 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. Many-body perturbation theory ACFDT, BSE, GW, MP2, CRPA. Defects Dipole corrections for defects in solids. Transition states Elastic band method, improved dimer method. Wannier functions Obtaining Wannier functions, SCDM, etc. Performance Parallelization, memory management. Outlook Features that will only be available in VASP.6.X.
Support
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