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  1. ELASTIC3rd ELASTIC3rd Public

    Calculate 3rd order elastic constant.

    Python 13 9

  2. ElasticPOST ElasticPOST Public

    POST code for second order elastic constant

    MATLAB 39 23

  3. TernaryPlot TernaryPlot Public

    Ternary Plot for Ternary System

    MATLAB 1 2

  4. ConvTest ConvTest Public

    Convergence test in VASP

    Python 3 1

  5. dfttk_tutorial dfttk_tutorial Public

    Tutorials for dfttk(https://github.com/PhasesResearchLab/dfttk)

    Python 1

  6. dfttk dfttk Public

    Forked from PhasesResearchLab/dfttk-2021

    Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.

    Python