Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

Parallel C/Python package for numerical analysis of PAW DFT wavefunctions

A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.

New API client for the Materials Project

Symmetry analysis and symmetrize in Wannier orbitals

a python package for computing magnetic interaction parameters

Density-functional toolkit

Concentric Approximation - Non-adiabatic Coupling

Analysis of quantum chemical interactions in molecules and solids.

MVT (Mobile Verification Toolkit) helps with conducting forensics of mobile devices in order to find signs of a potential compromise.

Scripts needed to generate the Delta factor for two solid state DFT codes within the PBE formalism