The VASP Manual
Getting started
1) How to Install VASP First install VASP. 2) Test Suite and Benchmarks Next validate your installation with the test suit and benchmarks. 3) Workshops The collection of workshops is a good place for the introduction to the basics of VASP. 4) Lectures The collection of lectures is a good place to start as well. 5) Tutorials and Examples The collection of tutorials and examples is a good place to learn the usage of VASP.
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 where the calculation runs) the following output files of previous runs may be read as restart information:
If present (in the directory where the calculation runs) the following file leads to a "soft" stop of the calculation:
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 BSEFATBAND
Features
Theoretical Background Important relations covering DFT, PAW, etc. Electronic Minimization PAW, Mixing, etc. XC Functionals Hybrid Functionals Structural Optimization Lattice Vibrations Molecular Dynamics Dielectric Properties Linear Response NMR Many-Body Perturbation Theory Magnetism Surfaces Defects Molecules
Visualisation and Postprocessing
Here we can link to postprocessing programs and script, visualization tools, etc etc.
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.