The VASP Manual

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Revision as of 14:33, 21 August 2017 by Vaspmaster (talk | contribs)
Getting started Absolute beginners should start here and preferably work through the VASP workshop material.
The Howto's Kind of a FAQ list of questions "How do I perform ... calculations with VASP".
Tutorials and Examples May serve similar purposes as the above.
INCAR-tags Information on assorted input parameters/files.
Theoretical Background Important relations covering PAW, DFT 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: The VASP workshop

Highly recommended if you are a beginner and often even useful if you are not!


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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:


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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

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Tutorials and Examples


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Visualisation and Postprocessing

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


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Further reading and additional documentation

Here we should place links to lectures and presentations and articles that concern VASP.


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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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