published Published over 2 years ago
ThermoParser: Streamlined Analysis of Thermoelectric Properties
Python
published Published over 2 years ago
doped: Python toolkit for robust and repeatable charged defect supercell calculations
Python Ruby Jupyter Notebook
published Published over 2 years ago
easyunfold: A Python package for unfolding electronic band structures
Python
published Published over 3 years ago
py-sc-fermi: self-consistent Fermi energies and defect concentrations from electronic structure calculations
Python
published Published almost 4 years ago
ShakeNBreak: Navigating the defect configurational landscape
Python Roff
published Published over 5 years ago
Surfaxe: Systematic surface calculations
Python Jupyter Notebook
published Published about 8 years ago
sumo: Command-line tools for plotting and analysis of periodic *ab initio* calculations
Python
published Published over 8 years ago

