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  1. SCPH SCPH Public

    This notebook documents the `SCPH/` workflow: VASP force calculations, ALAMODE force-constant fitting, and ANPHON self-consistent phonon calculations. These are all input and output files helping p…

    Jupyter Notebook

  2. Thermal-conductivity-calculation-using-ShengBTE Thermal-conductivity-calculation-using-ShengBTE Public

    Thermal conductivity calculation using ShengBTE, including 4ph scattering

    Verilog

  3. Active-learning-workflow Active-learning-workflow Public

    The workflow shows how to do active learning using MTP, LAMMPS, VASP.

    Jupyter Notebook

  4. amset-workflow amset-workflow Public

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  5. SHengBTE-BTE SHengBTE-BTE Public

    Verilog

  6. GPUMD-NEP GPUMD-NEP Public

    Jupyter Notebook