Fermi softness calculation for Vienna Ab initio Simulation Package (VASP) Update 1.1.0: Big update: Rewrote the code. Use Bader atomic division instea

pyiron pyiron - an integrated development environment (IDE) for computational materials science. It combines several tools in a common platform: Atomi

PyProcar PyProcar is a robust, open-source Python library used for pre- and post-processing of the electronic structure data coming from DFT calculati

WASPP module Wannier90 & vASP Postprocessing module with functionalities I needed during my PhD. Being updated Version: 0.5 Main functions: Wannier90