The VASP Manual: Difference between revisions

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


== Input ==
== Input ==
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Some specific features of VASP require additional [[The VASP Manual#Output|output files]] from previous runs to be present:
Some specific features of VASP require additional [[The VASP Manual#Output|output files]] from previous runs to be present:
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[[The VASP Manual#toc|Back to the top]]


== Output ==
== Output ==
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| {{FILE|vasprun.xml}} || {{FILE|Wxxxx.tmp}} || {{FILE|WFULLxxxx.tmp}} || {{FILE|STOPCAR}}
| {{FILE|vasprun.xml}} || {{FILE|Wxxxx.tmp}} || {{FILE|WFULLxxxx.tmp}} || {{FILE|STOPCAR}}
|}
|}
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[[The VASP Manual#toc|Back to the top]]


== Tutorials and Examples ==
== Tutorials and Examples ==
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*[[:Category:Tutorials|The list of tutorials]]
*[[:Category:Tutorials|The list of tutorials]]
*[[:Category:Examples|All example calculations]]
*[[:Category:Examples|All example calculations]]
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[[The VASP Manual#toc|Back to the top]]


== Lectures and Presentations ==
== Lectures and Presentations ==


*[[Lectures_and_presentations|Lecture notes (and videos)]]
*[[Lectures_and_presentations|Lecture notes (and videos)]]
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[[The VASP Manual#toc|Back to the top]]


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


== Support ==
== Support ==

Revision as of 20:29, 21 August 2017

Getting started Absolute beginners should start here and preferably work through the VASP workshop material.
Tutorials and Examples The collection of tutorials and examples is a good place to start as well.
INCAR-tags Information on assorted input parameters/files.
Theoretical Background Important relations covering DFT, PAW, etc.

Installation and validation

How to install VASP and validate your installation by means of the VASP test suite and benchmarks.


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Getting started

To get started have a look at a typical VASP workshop

These lectures, tutorials, and examples are highly recommended if you are a beginner and often even useful if you are not!

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 were the calculation runs) the following output files of previous runs may be read as restart information:

CHGCAR and/or WAVECAR.

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 STOPCAR

Tutorials and Examples

Lectures and Presentations

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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