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NU-CEM

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  1. ThermoPot ThermoPot Public

    Python package for calculating thermodynamic potentials from first-principles calculations

    Jupyter Notebook 14 4

  2. phonons_tutorial phonons_tutorial Public

    Ab-initio phonons tutorial for TDEP 2023 at Linkoping

    Shell 9 1

  3. CompPhys CompPhys Public

    Computational Physics Module at Northumbria University - KD5081

    Jupyter Notebook 3 3

  4. 2022_BaZrS3_High-T_equilibrium 2022_BaZrS3_High-T_equilibrium Public

    Supplementary information for vibrational and thermodynamic analysis of BaZrS3 and competing phases.

    Jupyter Notebook 2

  5. Group_wiki Group_wiki Public

    Guide, tips, tricks

    Shell 1 2

  6. BaZrS3-thermodynamic-model BaZrS3-thermodynamic-model Public

    Forked from WMD-group/CZTS-model

    Thermodynamic modelling of BaZrS3 phase equilibria

    Python 1 2

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