The VASP Manual: Difference between revisions

From VASP Wiki
Line 79: Line 79:


== Support ==
== Support ==
Requests for support for are to be directed WITHOUT EXCEPTION to the official VASP email address: [mailto:vasp.materialphysik@univie.ac.at vasp.materialphysik@univie.ac.at].
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].
 
'''Note''': Requests for support from the VASP group are to be directed WITHOUT EXCEPTION to the official VASP email address: [mailto:vasp.materialphysik@univie.ac.at vasp.materialphysik@univie.ac.at]. We offer support on a courtesy base only, not as a contractual service.


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

Revision as of 13:05, 21 September 2012

  • Absolute beginners should start with the Getting started section and preferably work through the VASP workshop material that can be found in that particular section.
  • The Howto's can be viewed as sort of a FAQ list of questions "How do I perform ... calculations with VASP".


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

In 2003 we organized a VASP workshop in Vienna. The lecture notes and examples from the handson sessions are highly recommended as place to start if you are a beginner and might also be useful if you are not.

Alternatively (or additionally) you may follow this link to find some example calculations to get started with.


Back to the top

Howto's

Below you find links to pages that present clearcut procedures describing how to do specific calculations:


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

Back to the top

Visualisation and Postprocessing

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


Back to the top

Further reading and additional documentation

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


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.

Note: Requests for support from the VASP group are to be directed WITHOUT EXCEPTION to the official VASP email address: vasp.materialphysik@univie.ac.at. We offer support on a courtesy base only, not as a contractual service.


Back to the top