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Vasprun.xml

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Revision as of 13:33, 5 June 2025 by Csheldon (talk | contribs)

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

Generator

  1. program
  2. version
  3. subversion
  4. platform
  5. date
  6. time