Vasprun.xml: Difference between revisions
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# structure | # structure | ||
# calculation | # calculation | ||
Each section will be shown, with links to the relevant pages in the Wiki. | |||
== Generator == | == Generator == | ||
Revision as of 13:36, 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
- version
- subversion
- platform
- date
- time