`doped`

Python package to setup, process and analyse solid-state defect calculations with VASP

Ecosystem
pypi.org

Latest Release
3.2.1
9 months ago

Versions
43

Downloads
46,161 last month

Dependent Packages
1

Dependent Repos
1

Readme

Keywords
ab-initio computational-chemistry computational-materials-science defect-calculation defect-formation-energy defect-levels defect-thermodynamics defects dft doping fermi-level point-defects pymatgen semiconductors shakenbreak transition-levels vasp

Stars	285 on GitHub
Forks	52 on GitHub

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