The VASP Manual: Difference between revisions

Revision as of 10:36, 16 April 2019

Getting started

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)
Electronic Minimization	Davidson, RMM-DIIS, Conjugate-gradient, preconditioning, mixing.
XC Functionals	LDA, GGA, metaGGA, hybrids, vdW functionals
Structural Optimization	Ionic mimimization methods.
Lattice Vibrations	Phonons, electron-phonon interactions.
Molecular Dynamics	Barostats, thermostats, ensembles, different MD methods
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.
Molecules	Monopole, dipole, and quadrupole corrections.
Transition States	Elastic band method, improved dimer method.
Wannier Functions	Interfacing to Wannier90.
Performance	Parallelization.
Theoretical Background	DFT, PAW.
Calculational issues	Most important parameters, typical sources of errors.
VASP6	All features that will only be available in VASP 6.X.
FAQ	Frequently asked questions on all topics.

Support

If you have questions or run into trouble, please have a look and/or post a question at the VASP forum.

Requests for support from the VASP group are to be directed WITHOUT EXCEPTION to the official VASP email address: vasp.materialphysik@univie.ac.at.

Please note: we offer support on a courtesy base only, not as a contractual service.

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@@ Line 26: / Line 26: @@
 == Featured topics ==
 :{| cellpadding="5" cellspacing="15"
+| '''Category''' || ''subtopics (amongst others)''
+|-
 | [[:Category:Electronic Minimization| Electronic Minimization]]|| Davidson, RMM-DIIS, Conjugate-gradient, preconditioning, mixing.
 |-
-| [[:Category:XC Functionals| XC Functionals]]|| LDA, GGA, metaGGA, hybrids, vdW functionals, etc.
+| [[:Category:XC Functionals| XC Functionals]]|| LDA, GGA, metaGGA, hybrids, vdW functionals
 |-
-| [[:Category:Structural Optimization| Structural Optimization]]|| Ionic mimimization methods, etc.
+| [[:Category:Structural Optimization| Structural Optimization]]|| Ionic mimimization methods.
 |-
-| [[:Category:Lattice Vibrations| Lattice Vibrations]]|| Phonons, electron-phonon interactions, etc.
+| [[:Category:Lattice Vibrations| Lattice Vibrations]]|| Phonons, electron-phonon interactions.
 |-
-| [[:Category:Dynamics| Molecular Dynamics]]|| Barostats, thermostats, ensembles, different MD methods, etc.
+| [[:Category:Dynamics| Molecular Dynamics]]|| Barostats, thermostats, ensembles, different MD methods
 |-
-| [[:Category:Dielectric Properties| Dielectric Properties]]|| Static and frequency dependent dielectric properties, Berry phases, spectroscopy (UV, VIS, X-ray), etc.
+| [[:Category:Dielectric Properties| Dielectric Properties]]|| Static and frequency dependent dielectric properties, Berry phases, spectroscopy (UV, VIS, X-ray).
 |-
-| [[:Category:Linear response| Linear response]]|| Static dielectric properties, phonons form linear response, etc.
+| [[:Category:Linear response| Linear response]]|| Static dielectric properties, phonons form linear response.
 |-
-| [[:Category:NMR| NMR]]|| Chemical shifts, electric field gradient, etc.
+| [[:Category:NMR| NMR]]|| Chemical shifts, electric field gradients.
 |-
-| [[:Category:Many-Body Perturbation Theory| Many-Body Perturbation Theory]]|| ACFDT, BSE, GW, MP2, CRPA etc.
+| [[:Category:Many-Body Perturbation Theory| Many-Body Perturbation Theory]]|| ACFDT, BSE, GW, MP2, CRPA.
 |-
-| [[:Category:Magnetism| Magnetism]]|| Spin-orbit coupling, non-collinear magnetism, etc.
+| [[:Category:Magnetism| Magnetism]]|| Spin-orbit coupling, non-collinear magnetism.
 |-
 <!--| [[:Category:Surfaces| Surfaces]]||
 |- -->
-| [[:Category:Defects| Defects]]|| Dipole corrections for defects in solids, etc.
+| [[:Category:Defects| Defects]]|| Dipole corrections for defects in solids.
 |-
-| [[:Category:Molecules| Molecules]]|| Monopole, dipole and quadrupole corrections, etc.
+| [[:Category:Molecules| Molecules]]|| Monopole, dipole, and quadrupole corrections.
 |-
-| [[:Category:Transition States| Transition States]]|| Elastic band method, improved dimer method, etc.
+| [[:Category:Transition States| Transition States]]|| Elastic band method, improved dimer method.
 |-
-| [[:Category:Wannier Functions| Wannier Functions]]|| Interfacing to Wannier90, etc.
+| [[:Category:Wannier Functions| Wannier Functions]]|| Interfacing to Wannier90.
 |-
-| [[:Category:Performance| Performance]]|| Parallelization, GPU, etc.
+| [[:Category:Performance| Performance]]|| Parallelization.
 |-
-| [[:Category:Theory| Theoretical Background]]|| Important relations covering DFT, PAW, etc.
+| [[:Category:Theory| Theoretical Background]]|| DFT, PAW.
 |-
-| [[:Category:Calculational issues| Calculational issues]]|| Most important parameters, typical sources of errors, etc.
+| [[:Category:Calculational issues| Calculational issues]]|| Most important parameters, typical sources of errors.
 |-
-| [[:Category:VASP6|VASP6]]|| All features that will only be available from VASP 6.0 or higher.
+| [[:Category:VASP6|VASP6]]|| All features that will only be available in VASP 6.X.
 |-
 <!--| [[:Category:Programming|Programming]]|| Hints for programmers, etc.