The VASP Manual: Difference between revisions
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| [[:Category:Electronic minimization| Electronic minimization]]|| Davidson, RMM-DIIS, Conjugate-gradient, preconditioning, [[:Category:Density mixing|density mixing]], etc. | | [[:Category:Electronic minimization| Electronic minimization]]|| Davidson, RMM-DIIS, Conjugate-gradient, preconditioning, [[:Category:Density mixing|density mixing]], etc. | ||
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| [[:Category:Electronic ground-state properties| Electronic ground-state properties]]|| Band structure, [[:Category:Density of states |density of states]], etc. | |||
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| [[:Category:Magnetism| Spin-density-functional theory]]|| Spin-orbit coupling, noncollinear magnetism, constraint magnetism, etc. | |||
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| [[:Category:Exchange-correlation functionals|Exchange-correlation functionals]]|| LDA, GGA, metaGGA, Hybrid functionals, vdW functionals. | | [[:Category:Exchange-correlation functionals|Exchange-correlation functionals]]|| LDA, GGA, metaGGA, Hybrid functionals, vdW functionals. | ||
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| [[:Category:Many-Body Perturbation Theory| Many-body perturbation theory]]|| ACFDT, BSE, GW, MP2, CRPA. | | [[:Category:Many-Body Perturbation Theory| Many-body perturbation theory]]|| ACFDT, BSE, GW, MP2, CRPA. | ||
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<!--| [[:Category:Surfaces| Surfaces]]|| | <!--| [[:Category:Surfaces| Surfaces]]|| | ||
Revision as of 10:07, 7 April 2022
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, different MD methods, etc. Machine learning Machine-learning 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. 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
If you have questions or run into trouble, please have a look at the known issues and/or post a question at the VASP forum
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