Vasprun.xml: Difference between revisions
No edit summary |
No edit summary |
||
| Line 12: | Line 12: | ||
# structure | # structure | ||
# calculation | # calculation | ||
== Generator == | |||
# program | |||
# version | |||
# subversion | |||
# platform | |||
# date | |||
# time | |||
Revision as of 13:33, 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
Generator
- program
- version
- subversion
- platform
- date
- time