The VASP Manual: Difference between revisions
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| [[The VASP Manual#Getting started|Getting started]] || Absolute beginners should start here and preferably work through the VASP workshop material. | | [[The VASP Manual#Getting started|Getting started]] || Absolute beginners should start here and preferably work through the VASP workshop material. | ||
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| [[The VASP Manual#Tutorials and Examples|Tutorials and Examples]]|| May serve similar purposes as the above. | | [[The VASP Manual#Tutorials and Examples|Tutorials and Examples]]|| May serve similar purposes as the above. | ||
Revision as of 14:37, 21 August 2017
Getting started Absolute beginners should start here and preferably work through the VASP workshop material. 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.
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!
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
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.