Plot partial charge densities from VASP

Implementation for computing nonradiative recombination rates in semiconductors

The next-generation file converter. Open source, fully local* and free forever.

pyiron - an integrated development environment (IDE) for computational materials science.

Materials science with Python at the atomic-scale

Density-functional toolkit

Workflow and Template Toolkit for Simulation (WATTS)

Julia package to compute trap-assisted electron and hole capture in semiconductors

doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-fr…

DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and rapid exploration is supported through the use of autoplotti…

Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.

Defect structure-searching employing chemically-guided bond distortions