py4vasp available via PyPI

Over the last two years, we have developed a new post-processing tool for VASP. Built with Python, you can integrate it easily into your scripts. This new package uses the HDF5 support of VASP to give you direct access to the data so that you can avoid parsing the text-based output.

If you use Jupyter Notebooks, you will appreciate the interactive plotting tools. For example, with a few easy lines of code, you see the structure or the density of states VASP produced.

At a glance: Watch the teaser to see what you can do with py4vasp!

Start using py4vasp

py4vasp is used extensively in our new tutorials. Please check them out to see how this package can assist your research.