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== Getting started ==
== Getting started ==


To get started have a look at [[VASP workshop|a typical VASP workshop]].
These [[Lectures_and_presentations|lectures]], [[:Category:Tutorials|tutorials]], and [[:Category:Examples|examples]] are highly recommended if you are a beginner and often even useful if you are not!
:{| cellpadding="5" cellspacing="15"
:{| cellpadding="5" cellspacing="15"
| [[The VASP Manual#Getting started|Getting started]] || Absolute beginners should start here and preferably work through the VASP workshop material.
| [[Installing VASP|How to install VASP]]|| First install VASP.
|-
|-
| [[The VASP Manual#Tutorials and Examples|Tutorials and Examples]]|| The collection of tutorials and examples is a good place to start as well.
| [[Validating VASP|the VASP test suite and benchmarks]]|| Next validate your installation with the test suit and benchmarks.
|-
|-
|}
| [[VASP workshop|a typical VASP workshop]]|| The collection of lectures is a good place for the introduction to the basics of VASP.
 
 
== Installation and validation ==
[[Installing VASP|How to install VASP]] and validate your installation by means of [[Validating VASP|the VASP test suite and benchmarks]].
 
== Features ==
:{| cellpadding="5" cellspacing="15"
| [[:Category:Theory| Theoretical Background]]|| Important relations covering DFT, PAW, etc.
|-
|-
| [[:Category:Electronic Minimization| Electronic Minimization]]||  
| [[Lectures_and_presentations|Lectures]]|| The collection of lectures is a good place to start as well.
|-
|-
| [[:Category:XC Functionals| XC Functionals]]||  
| [[The VASP Manual#Tutorials and Examples|Tutorials and Examples]]|| The collection of tutorials and examples is a good place to learn the usage of VASP.
|-
|-
| [[:Category:Hybrids| Hybrid Functionals]]||
|-
| [[:Category:Structural Optimization| Structural Optimization]]||
|-
| [[:Category:Vibrational Properties| Vibrational Properties]]||
|-
| [[:Category:Dynamics| Molecular Dynamics]]||
|-
| [[:Category:Dielectric Properties| Dielectric Properties]]||
|-
| [[:Category:Linear Response| Linear Response]]||
|-
| [[:Category:NMR| NMR]]||
|-
| [[:Category:Many-Body Perturbation Theory| Many-Body Perturbation Theory]]||
|-
| [[:Category:Magnetism| Magnetism]]||
|-
| [[:Category:Surfaces| Surfaces]]||
|-
| [[:Category:Defects| Defects]]||
|-
| [[:Category:Molecules| Molecules]]||
|}
|}




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== Tutorials and Examples ==
== Features ==
 
:{| cellpadding="5" cellspacing="15"
*[[:Category:Tutorials|The list of tutorials]]
| [[:Category:Theory| Theoretical Background]]|| Important relations covering DFT, PAW, etc.
*[[:Category:Examples|All example calculations]]
|-
 
| [[:Category:Electronic Minimization| Electronic Minimization]]||
 
|-
== Lectures and Presentations ==
| [[:Category:XC Functionals| XC Functionals]]||
 
|-
*[[Lectures_and_presentations|Lecture notes (and videos)]]
| [[:Category:Hybrids| Hybrid Functionals]]||
 
|-
| [[:Category:Structural Optimization| Structural Optimization]]||
|-
| [[:Category:Vibrational Properties| Vibrational Properties]]||
|-
| [[:Category:Dynamics| Molecular Dynamics]]||
|-
| [[:Category:Dielectric Properties| Dielectric Properties]]||
|-
| [[:Category:Linear Response| Linear Response]]||
|-
| [[:Category:NMR| NMR]]||
|-
| [[:Category:Many-Body Perturbation Theory| Many-Body Perturbation Theory]]||
|-
| [[:Category:Magnetism| Magnetism]]||
|-
| [[:Category:Surfaces| Surfaces]]||
|-
| [[:Category:Defects| Defects]]||
|-
| [[:Category:Molecules| Molecules]]||
|}


== Visualisation and Postprocessing ==
== Visualisation and Postprocessing ==
Here we can link to postprocessing programs and script, visualization tools, etc etc.
Here we can link to postprocessing programs and script, visualization tools, etc etc.


== Support ==
== Support ==

Revision as of 15:13, 13 February 2019

Getting started

How to install VASP First install VASP.
the VASP test suite and benchmarks Next validate your installation with the test suit and benchmarks.
a typical VASP workshop The collection of lectures 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

As a minimal setup, VASP requires the user to prepare the following input files:

INCAR, KPOINTS, POSCAR, and POTCAR.

If present (in the directory where the calculation runs) the following output files of previous runs may be read as restart information:

CHGCAR and/or WAVECAR.

If present (in the directory where the calculation runs) the following file leads to a "soft" stop of the calculation:

STOPCAR.

Some specific features of VASP require additional output files from previous runs to be present:

Output

The main output file of VASP is the OUTCAR file.

The OSZICAR file ...

CHGCAR WAVECAR CHG WAVEDER
CONTCAR XDATCAR EIGENVAL IBZKPT
DOSCAR PROCAR PROOUT PCDAT
ELFCAR PARCHG LOCPOT TMPCAR
vasprun.xml Wxxxx.tmp WFULLxxxx.tmp BSEFATBAND

Features

Theoretical Background Important relations covering DFT, PAW, etc.
Electronic Minimization
XC Functionals
Hybrid Functionals
Structural Optimization
Vibrational Properties
Molecular Dynamics
Dielectric Properties
Linear Response
NMR
Many-Body Perturbation Theory
Magnetism
Surfaces
Defects
Molecules

Visualisation and Postprocessing

Here we can link to postprocessing programs and script, visualization tools, etc etc.

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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