The VASP Manual: Difference between revisions
| Line 5: | Line 5: | ||
The [[The VASP Manual#Howto's|Howto's]] can be viewed as sort of a FAQ list of questions "How do I perform ... calculations with VASP". | The [[The VASP Manual#Howto's|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 [[The VASP Manual#Input|Input]] section | Users looking for information on particular input parameters/files should follow the links in the [[The VASP Manual#Input|Input]] section, or directly go to [[:Category:INCAR|the list of '''INCAR''' tags and related articles]]. | ||
---- | ---- | ||
Revision as of 12:42, 25 March 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, or directly go to the list of INCAR tags and related articles.
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 directs 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.
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 ...