The VASP Manual: Difference between revisions

Revision as of 12:35, 19 July 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

@@ Line 1: / Line 1: @@
 == Getting started ==
 :{| 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.
 |-
-<!--| [[Validating VASP|Test Suite and Benchmarks]]|| Next validate your installation with the test suit and benchmarks.
+| [https://www.vasp.at/learn/ Learn]|| [https://www.vasp.at/tutorials/latest/ Tutorials using notebooks], [https://www.youtube.com/channel/UCBATkNZ7pkAXU9tx7GVhlaw video lectures], 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.
+| 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.
 |-
-| [[:Category:Tutorials|Tutorials]] and [[:Category:Examples|Examples]]|| The collection of tutorials and examples is a good place to learn the usage of VASP.
+| [[:Category:VASP6|VASP6]]|| Features that will only be available in VASP.6.X.
 |-
 |}
@@ Line 19: / Line 15: @@
 | '''Category''' || ''subtopics (amongst others)''
 |-
-|style="background: #F8F4FB;"| [[:Category:Theory| Theoretical background]]|| DFT, PAW method, vdW, spectroscopy, MD.
+|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.