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! | ||
== 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: | ||
== 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}} | ||
|} | |} | ||
== 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]] | ||
== Lectures and Presentations == | == Lectures and Presentations == | ||
*[[Lectures_and_presentations|Lecture notes (and videos)]] | *[[Lectures_and_presentations|Lecture notes (and videos)]] | ||
== 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 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.
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:
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.