The VASP Manual: Difference between revisions
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[[The VASP Manual#toc|Back to the top]] | [[The VASP Manual#toc|Back to the top]] | ||
== Examples == | == Tutorials and Examples == | ||
[[VASP tutorials|Have a look at the ever growing list of example calculations.]] | [[VASP tutorials|Have a look at the ever growing list of example calculations.]] | ||
Revision as of 12:18, 21 August 2017
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". Example calculations 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.
Getting started
Over the years we have held several entry level VASP workshops. The lecture notes and examples of these workshops are a very convenient place to start if you are a beginner and might also be usefull if you are not. Below we have listed a few of the most suitable:
- VASP workshop, Vienna, Austria (2003):
- VASP workshop at the Institut des Matériaux Jean Rouxel (IMN), Nantes, France (2012):
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
Have a look at the ever growing list of example calculations.
Visualisation and Postprocessing
Here we can link to postprocessing programs and script, visualization tools, etc etc.
Further reading and additional documentation
Here we should place links to lectures and presentations and articles that concern VASP.
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.