The VASP Manual: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
Line 65: Line 65:
*[[:Category:Tutorials|The list of tutorials]]
*[[:Category:Tutorials|The list of tutorials]]
*[[:Category:Examples|Example calculations]]
*[[:Category:Examples|Example calculations]]
== Lectures and Presentations ==
[[Lectures and Presentations]]
----
[[The VASP Manual#toc|Back to the top]]


----
----
Line 75: Line 82:
[[The VASP Manual#toc|Back to the top]]
[[The VASP Manual#toc|Back to the top]]


<!--== Further reading and additional documentation ==
Here we should place links to lectures and presentations and articles that concern VASP.
----
[[The VASP Manual#toc|Back to the top]]
-->
== Support ==
== Support ==
If you have questions or run into trouble, please have a look and/or post a question at the [http://cms.mpi.univie.ac.at/vasp-forum/forum.php VASP forum].
If you have questions or run into trouble, please have a look and/or post a question at the [http://cms.mpi.univie.ac.at/vasp-forum/forum.php VASP forum].

Revision as of 15:30, 21 August 2017

Getting started Absolute beginners should start here and preferably work through the VASP workshop material.
Tutorials and Examples The complete collection of tutorials and examples.
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.


Back to the top

Getting started

To get started have a look at: The VASP workshop

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


Back to the top

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:


Back to the top

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

Back to the top

Tutorials and Examples

Lectures and Presentations

Lectures and Presentations


Back to the top


Back to the top

Visualisation and Postprocessing

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


Back to the top

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.


Back to the top