The VASP Manual: Difference between revisions

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| [[:Category:Electronic Minimization| Electronic Minimization]]|| Davidson, RMM-DIIS, Conjugate-gradient, preconditioning, mixing.
| [[:Category:Electronic Minimization| Electronic Minimization]]|| Davidson, RMM-DIIS, Conjugate-gradient, preconditioning, mixing.
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|-
| [[:Category:Exchange-correlation Functionals| Exchange-correlation Functionals]]|| LDA, GGA, metaGGA, HF/DFT hybrid functionals, vdW functionals.
| [[:Category:Exchange-correlation functionals| Exchange-correlation functionals]]|| LDA, GGA, metaGGA, HF/DFT hybrid functionals, vdW functionals.
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|-
| [[:Category:Structural Optimization| Structural Optimization]]|| Ionic mimimization methods.
| [[:Category:Structural Optimization| Structural Optimization]]|| Ionic mimimization methods.

Revision as of 07:41, 6 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.

Input and Output

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

Featured topics

Category subtopics (amongst others)
PP and PAW Theory, available potentials.
Electronic Minimization Davidson, RMM-DIIS, Conjugate-gradient, preconditioning, mixing.
Exchange-correlation 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-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.
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.
Atoms and Molecules Monopole, dipole, and quadrupole corrections.
Transition States Elastic band method, improved dimer method.
Wannier Functions Obtaining Wannier functions.
Common Pitfalls Most important parameters, typical sources of errors.
Theoretical Background DFT, PAW, vdW, spectroscopy, MD.
VASP.6 / VASP6 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

Mind: We offer support on a courtesy base only, not as a contractual service.

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