The VASP Manual: Difference between revisions
No edit summary |
|||
| Line 22: | Line 22: | ||
This section will direct the reader to a number of pages that present clearcut procedures describing how to do specific calculations. For instance, how to perform band structure calculations, etc etc. | This section will direct the reader to a number of pages that present clearcut procedures describing how to do specific calculations. For instance, how to perform band structure calculations, etc etc. | ||
*Frequency dependent | *Frequency dependent {{FILE|GW}} calculations | ||
---- | ---- | ||
[[The VASP Manual#toc|Back to the top]] | [[The VASP Manual#toc|Back to the top]] | ||
Revision as of 12:25, 22 February 2011
About this manual
Absolute beginners should read the Getting started section and preferably work through the VASP workshop material that can be found in that particular section.
The Howto's can be viewed as sort of a FAQ list of questions "How do I perform ... calculations with VASP".
Users looking for information on particular input parameters/files should follow the links in the Input section
Getting started
This section should contain links to pages that deal with installation of VASP, and some getting started examples. Probably the latter should be based on the VASP workshop material.
Howto's
This section will direct the reader to a number of pages that present clearcut procedures describing how to do specific calculations. For instance, how to perform band structure calculations, etc etc.
- Frequency dependent GW calculations
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:
Additionally, some features of VASP require
Output
The main output file of VASP is the OUTCAR file.
The OSZICAR file ...