Vasprun.xml
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
Contains all the information about the calculation run.
- program
- VASP
- version
- VASP version
- subversion
- Subversion and build details, including compilation details.
- platform
- Operating system and compiler used.
- date
- Date the calculation was performed (YYYY MM DD)
- time
- Time the calculation was performed (HH:MM:SS)
Primitive cell
Input parameters read from the INCAR file.