Vasprun.xml: Difference between revisions
No edit summary |
No edit summary |
||
| Line 6: | Line 6: | ||
# generator | # generator | ||
# incar | # incar | ||
# primitive cell | |||
# kpoints | |||
# parameters | |||
# atom info | |||
# structure | |||
# calculation | |||
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