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  1. PaiNN-model PaiNN-model Public

    This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials

    Python 12 1

  2. VASProcar-Python-tools-for-DFT-calculations VASProcar-Python-tools-for-DFT-calculations Public

    Python 3 code for extracting information and results from the following VASP output files (CONTCAR, KPOINTS, OUTCAR, PROCAR, DOSCAR, LOCPOT, PARCHG and vasprun.xml).

    Python 2 2

  3. BoltzTraP_Tools BoltzTraP_Tools Public

    Forked from K4ys4r/BoltzTraP_Tools

    BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA

    Python 1

  4. BoltzGnu BoltzGnu Public

    Forked from K4ys4r/BoltzGnu

    BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data

    Gnuplot

  5. matgenb matgenb Public

    Forked from materialsvirtuallab/matgenb

    Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

    Jupyter Notebook

  6. VASP_Scripts VASP_Scripts Public

    Forked from K4ys4r/VASP_Scripts

    Jupyter Notebook