Repositories list

• pydefect

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

  python3vaspvasp-calculations+ 1point-defects

  Python

  •

  MIT License

  •19•47•6•0•Updated Oct 28, 2024Oct 28, 2024

• pydefect_2d

  Public
  Python

  •2•9•0•0•Updated Oct 18, 2024Oct 18, 2024

• vise

  Public
  VASP Integrated Supporting Environment

  python3vaspelectronic-structure+ 2vasp-calculationsvasp-processing

  Python

  •

  MIT License

  •9•19•3•0•Updated Apr 3, 2024Apr 3, 2024

• oxygen_vacancies_db

  Public
  Jupyter Notebook

  •1•11•1•0•Updated Nov 16, 2022Nov 16, 2022

• crystaltoolkit

  Public
  Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules, including a suite of reusable web components to make your own materials science web apps.

  Python

  •

  Other

  •59•1•0•0•Updated Apr 1, 2021Apr 1, 2021