The VASP Manual: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
Line 2: Line 2:
| [[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.
|-
|-
| [[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]]|| The complete collection of tutorials and examples.
|-
|-
| [[:Category:INCAR|'''INCAR'''-tags]]|| Information on assorted input parameters/files.
| [[:Category:INCAR|'''INCAR'''-tags]]|| Information on assorted input parameters/files.

Revision as of 15:10, 21 August 2017

Getting started Absolute beginners should start here and preferably work through the VASP workshop material.
Tutorials and Examples The complete collection of tutorials and examples.
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.


Back to the top

Getting started

To get started have a look at: The VASP workshop

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


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 STOPCAR

Back to the top

Tutorials and Examples


Back to the top

Visualisation and Postprocessing

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


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.

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.


Back to the top