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90 followers · 19 following

Achievements

Achievement: Starstruckx2Achievement: Pair ExtraordinaireAchievement: Pull Sharkx3Achievement: QuickdrawAchievement: YOLOAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Starstruckx2Achievement: Pair ExtraordinaireAchievement: Pull Sharkx3Achievement: QuickdrawAchievement: YOLOAchievement: Arctic Code Vault Contributor

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@SMTG-Bham

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kavanase/README.md

Hi! 👋

Check out my personal website seankavanagh.com if you want to know more about me and my research!

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Top Repositories

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  1. SMTG-Bham/doped SMTG-Bham/doped Public

    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…

    Python 148 33

  2. SMTG-Bham/ShakeNBreak SMTG-Bham/ShakeNBreak Public

    Defect structure-searching employing chemically-guided bond distortions

    Python 85 19

  3. SMTG-Bham/easyunfold SMTG-Bham/easyunfold Public

    Band structure unfolding made easy!

    Python 45 12

  4. SMTG-Bham/sumo SMTG-Bham/sumo Public

    Heavyweight plotting tools for ab initio calculations

    Python 206 82

  5. vaspup2.0 vaspup2.0 Public

    VASP Convergence Testing (for Energy & Dielectric Constants)

    Shell 49 11

  6. WMD-group/PyTASER WMD-group/PyTASER Public

    Python package to simulate differential absorption spectra of crystals from first principles

    Python 25 5