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:

1. generator
2. incar
3. primitive cell
4. kpoints
5. parameters
6. atom info
7. structure
8. 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