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== Getting started ==
== Getting started ==
:{| cellpadding="5" cellspacing="15"
:{| cellpadding="5" cellspacing="15"
| [[:Category:VASP6|VASP6]]|| Features that will only be available in VASP.6.X.
| [[:Category:Installation|How to Install VASP]]|| First install VASP.
|-
|-
| [[Installing VASP|How to Install VASP]]|| First install VASP.
| [https://www.vasp.at/learn/ Learn]|| [https://www.vasp.at/tutorials/latest/ Tutorials using notebooks], [https://www.youtube.com/channel/UCBATkNZ7pkAXU9tx7GVhlaw video lectures], etc.
|-
|-
<!--| [[Validating VASP|Test Suite and Benchmarks]]|| Next validate your installation with the test suit and benchmarks.
| More|| [[:Category:Howto|How to's]], [[:Category:Examples|examples]] and [[:Category:Tutorials|tutorials]] on the Wiki, some [[Lectures_and_presentations|lectures]] and [[:Category:Workshops|schedules from previous workshops]], etc.
|- -->
| [[VASP workshop|Workshops]]|| The collection of workshops is a good place for the introduction to the basics of VASP.
|-
|-
| [[Lectures_and_presentations|Lectures]]|| The collection of lectures is a good place to start as well.
| [[:Category:VASP6|VASP6]]|| Features that will only be available in VASP.6.X.
|-
| [[:Category:Tutorials|Tutorials]] and [[:Category:Examples|Examples]]|| The collection of tutorials and examples is a good place to learn the usage of VASP.
|-
|}
 
== Input and Output ==
 
:{| cellpadding="5" cellspacing="15"
| [[:Category:INCAR|INCAR tags]]|| All INCAR tags at a glance.
|-
| [[:Category:Input Files|Input Files]]
|-
|-
| [[:Category:Output Files|Output Files]]
|}
|}


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| '''Category''' || ''subtopics (amongst others)''
| '''Category''' || ''subtopics (amongst others)''
|-
|-
| [[:Category:Electronic Minimization| Electronic Minimization]]|| Davidson, RMM-DIIS, Conjugate-gradient, preconditioning, mixing.
|style="background: #F8F4FB;"| [[:Category:Theory| Theoretical background]]|| Density-functional theory, projector-augmented-wave method, molecular dynamics, GW approximation, etc.
|-
|style="background: #F8F4FB;"| [[:Category:Calculation setup| Calculation setup]] || [[:Category:Installation|Installation]], [[:Category:Input files|input files]], [[:Category:Output Files|output files]], [[:Category:INCAR tag|INCAR tags]], [[:Category:Howto|How to's]], etc.
|-
|style="background: #FCF3F4;"|[[:Category:Electronic minimization| Electronic minimization]]|| Davidson, RMM-DIIS, Conjugate-gradient, preconditioning, [[:Category:Density mixing|density mixing]], etc.
|-
|-
| [[:Category:XC Functionals| XC Functionals]]|| LDA, GGA, metaGGA, HF/DFT hybrid functionals, vdW functionals.
|style="background: #FCF3F4;"| [[:Category:Electronic ground-state properties| Electronic ground-state properties]]|| Band structure, [[:Category:Density of states |density of states]], etc.
|-
|-
| [[:Category:Structural Optimization| Structural Optimization]]|| Ionic mimimization methods.
|style="background: #FCF3F4;"| [[:Category:Magnetism| Spin degree of freedom]]|| Spin-orbit coupling, noncollinear magnetism, spin spirals, constrained magnetism, etc.
|-
|-
| [[:Category:Dynamics| Molecular Dynamics]]|| Barostats, thermostats, ensembles, different MD methods.
|style="background: #FCF3F4;"| [[:Category:Exchange-correlation functionals|Exchange-correlation functionals]]|| [[:Category:GGA|LDA]], [[:Category:GGA|GGA]], [[:Category:meta-GGA|meta-GGA]], [[:Category:DFT+U|DFT+U]], [[:Category:Hybrid functionals|hybrid functionals]], [[:Category:van_der_Waals_functionals|van der Waals functionals]].
|-
|-
<!-- | [[:Category:Machine Learning| Machine Learning]]|| Machine-learned force fields. 
|style="background: #F3FCFB;"| [[:Category:Symmetry| Symmetry and structure]]|| Crystal symmetry, reciprocal space, surfaces, pair-correlation function for liquids, etc.
|- -->
| [[:Category:Lattice Vibrations| Lattice Vibrations]]|| Phonons, electron-phonon interactions.
|-
|-
| [[:Category:Dielectric Properties| Dielectric Properties]]|| Static and frequency dependent dielectric properties, Berry phases, spectroscopy (UV, VIS, X-ray).
|style="background: #F3FCFB;"| [[:Category:Ionic minimization| Ionic mimimization]]|| Structure optimization, ionic-mimimization methods, [[:Category:Forces|forces]], etc.
|-
|-
| [[:Category:Linear response| Linear Response]]|| Static dielectric properties, phonons form linear response.
|style="background: #F3FCFB;"| [[:Category:Molecular dynamics| Molecular dynamics]]|| Barostats, [[:Category:Thermostats|thermostats]], [[:Category:Ensembles|ensembles]], etc.
|-
|-
| [[:Category:NMR| NMR]]|| Chemical shifts, electric field gradients.
|style="background: #F3FCFB;"| [[:Category:Ensemble properties| Ensemble properties]]|| Monitoring geometric parameters, pair-correlation function, etc.
|-
|-
| [[:Category:Many-Body Perturbation Theory| Many-Body Perturbation Theory]]|| ACFDT, BSE, GW, MP2, CRPA.
|style="background: #F3FCFB;"| [[:Category:Advanced molecular-dynamics sampling| Advanced molecular-dynamics sampling]] || [[:Category:Interface pinning|Interface pinning]], constrained molecular dynamics, metadynamics, thermodynamic integration, etc.
|-
|-
| [[:Category:Magnetism| Magnetism]]|| Spin-orbit coupling, non-collinear magnetism.
|style="background: #F3FCFB;"| [[:Category:Machine-learned force fields| Machine-learned force fields]]|| Training and application of force fields.
|-
|-
<!--| [[:Category:Surfaces| Surfaces]]||
|style="background: #F0F4FF;"| [[:Category:Phonons| Phonons]]|| Lattice vibrations, [[:Category:Electron-phonon_interactions | electron-phonon interactions]].
|- -->
| [[:Category:Defects| Defects]]|| Dipole corrections for defects in solids.
|-
|-
| [[:Category:Atoms and Molecules| Atoms and Molecules]]|| Monopole, dipole, and quadrupole corrections.
|style="background: #F0F4FF;"|  [[:Category:Linear response| Response theory]]|| Static and frequency-dependent [[:Category:Dielectric properties|dielectric properties]], Berry phases, spectroscopy (UV, VIS, X-ray), [[:Category:Phonons|phonons]], etc.
|-
|-
| [[:Category:Transition States| Transition States]]|| Elastic band method, improved dimer method.
|style="background: #F0F4FF;"|  [[:Category:Many-body perturbation theory| Many-body perturbation theory]]|| ACFDT, BSE, GW, MP2, CRPA.
|-
|-
| [[:Category:Wannier Functions| Wannier Functions]]|| Interfacing to Wannier90.
<!--| [[:Category:Defects| Defects and doping]]|| Dipole corrections for defects in solids, VCA, etc.
|-
|- -->
<!--
<!-- | [[:Category:Core states| Core states]]|| Frozen-core approximation, X-ray abpsorption spectra (SCH calculations), ICORELEVEL, etc.
| [[:Category:Performance| Performance]]|| Parallelization, memory management.
|- -->
-->
|style="background: #FCF3F4;"| [[:Category:Wannier functions| Localized basis and projection]]|| Obtaining Wannier functions, SCDM, etc.
|-
|-
| [[:Category:Common Pitfalls| Common Pitfalls]]|| Most important parameters, typical sources of errors.
|style="background: #F8F4FB;"| [[:Category:Performance| Performance]]|| [[:Category:Parallelization| Parallelization]], [[:Category:Memory|memory management]], profiling, etc.
|-
|-
| [[:Category:Theory| Theoretical Background]]|| DFT, PAW.
|style="background: #F8F4FB;"| [[:Category:VASP6|Outlook]]|| Features that will only be available in VASP.6.X.
|-
|-
| [[:Category:VASP6|VASP.6 / VASP6]]|| Features that will only be available in VASP.6.X.
|-
<!--| [[:Category:Programming|Programming]]|| Hints for programmers, etc.
|- -->
<!--| [[FAQ|FAQ]]|| Frequently asked questions on all topics. -->
|}
|}
<!-- == Visualisation and Postprocessing ==
Here we can link to postprocessing programs and script, visualization tools, etc etc.
-->


== Support ==
== Support ==
If you have questions or run into trouble, please have a look and/or post a question at the [http://cms.mpi.univie.ac.at/vasp-forum/forum.php VASP forum]
If you have questions or run into trouble, please have a look at the [[Known issues|known issues]] and/or post a question at the [https://www.vasp.at/forum/ VASP forum]
 
{{NB|mind|We offer support on a courtesy base only, not as a contractual service.}}
Please note: we offer support on a courtesy base only, not as a contractual service.


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[[The VASP Manual#toc|Back to the top]]
[[The VASP Manual#toc|Back to the top]]

Revision as of 09:58, 12 August 2022

Getting started

How to Install VASP First install VASP.
Learn Tutorials using notebooks, video lectures, etc.
More How to's, examples and tutorials on the Wiki, some lectures and schedules from previous workshops, etc.
VASP6 Features that will only be available in VASP.6.X.

Featured topics

Category subtopics (amongst others)
Theoretical background Density-functional theory, projector-augmented-wave method, molecular dynamics, GW approximation, etc.
Calculation setup Installation, input files, output files, INCAR tags, How to's, etc.
Electronic minimization Davidson, RMM-DIIS, Conjugate-gradient, preconditioning, density mixing, etc.
Electronic ground-state properties Band structure, density of states, etc.
Spin degree of freedom Spin-orbit coupling, noncollinear magnetism, spin spirals, constrained magnetism, etc.
Exchange-correlation functionals LDA, GGA, meta-GGA, DFT+U, hybrid functionals, van der Waals functionals.
Symmetry and structure Crystal symmetry, reciprocal space, surfaces, pair-correlation function for liquids, etc.
Ionic mimimization Structure optimization, ionic-mimimization methods, forces, etc.
Molecular dynamics Barostats, thermostats, ensembles, etc.
Ensemble properties Monitoring geometric parameters, pair-correlation function, etc.
Advanced molecular-dynamics sampling Interface pinning, constrained molecular dynamics, metadynamics, thermodynamic integration, etc.
Machine-learned force fields Training and application of force fields.
Phonons Lattice vibrations, electron-phonon interactions.
Response theory Static and frequency-dependent dielectric properties, Berry phases, spectroscopy (UV, VIS, X-ray), phonons, etc.
Many-body perturbation theory ACFDT, BSE, GW, MP2, CRPA.
Localized basis and projection Obtaining Wannier functions, SCDM, etc.
Performance Parallelization, memory management, profiling, etc.
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

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

Back to the top