The VASP Manual: Difference between revisions

Revision as of 14:54, 13 February 2019

To get started have a look at a typical VASP workshop.

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

Getting started	Absolute beginners should start here and preferably work through the VASP workshop material.
Tutorials and Examples	The collection of tutorials and examples is a good place to start as well.

IO	Information on assorted input parameters/files.
Theoretical Background	Important relations covering DFT, PAW, etc.
Electronic Minimization
XC Functionals
Hybrid Functionals
Structural Optimization
Vibrational Properties
Molecular Dynamics
Dielectric Properties
Linear Response
NMR
Many-Body Perturbation Theory
Magnetism
Surfaces
Defects
Molecules

As a minimal setup, VASP requires the user to prepare the following input files:

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:

The main output file of VASP is the OUTCAR file.

The OSZICAR file ...

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

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.

@@ Line 9: / Line 9: @@
 | [[The VASP Manual#Tutorials and Examples|Tutorials and Examples]]|| The collection of tutorials and examples is a good place to start as well.
 |-
+|}
 == Features ==
 :{| cellpadding="5" cellspacing="15"