Vasprun.xml: Difference between revisions
| Line 16: | Line 16: | ||
== Generator == | == Generator == | ||
* '''program''' | |||
** VASP | |||
* '''version''' | |||
** The version of VASP | |||
* '''subversion''' | |||
** When the version was released | |||
** When it was compiled | |||
* '''platform''' | |||
** Platform (OS/ structure?) used for compiling? or for running calculation? | |||
* '''date''' | |||
** Date of calculation | |||
* '''time''' | |||
** Time of calculation | |||
Revision as of 13:41, 5 June 2025
In addition to OUTCAR, output from VASP is stored using XML format in the vasprun.xml file for ease of use. Below, the structure of such a file is given with links to the corresponding pages:
Contents of file
The structure of vasprun.xml has the following main hierarchy:
- generator
- incar
- primitive cell
- kpoints
- parameters
- atom info
- structure
- calculation
Each section will be shown, with links to the relevant pages in the Wiki.
Generator
- program
- VASP
- version
- The version of VASP
- subversion
- When the version was released
- When it was compiled
- platform
- Platform (OS/ structure?) used for compiling? or for running calculation?
- date
- Date of calculation
- time
- Time of calculation