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

dmheggo@student.matnat.uio.no

danmichaelo/oppvasp

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