OPPVASP -- Oslo Python Package for Vasp and Similar Packages

OPPVASP is a wrap-up of various pre- and post-processing scripts for ab initio codes, mainly VASP.

A warning: This code should not be considered stable, and it's structure is likely to change in the future. If you are just looking for a good python pre-/post-processing package for ab initio codes, try ASE: https://wiki.fysik.dtu.dk/ase/.

Some curent features:

• Simple setup of batch jobs for e.g. convergence tests
• Simple band structure parser for VASP and Quantum Espresso output
• Band analyzer that checks for minima, maxima, bandwidth...
• Band structure plotting using matplotlib

Installing

Requirements: numpy, scipy, matplotlib, scitools, lxml Optional: progressbar

git clone git://github.com/danmichaelo/oppvasp.git

Author

[email protected]