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  1. QHA_2D QHA_2D Public

    A lattice dynamics quasi-harmonic approximation implementation towards the determination of temperature-pressure phase diagrams in the solid state.

    Python 2

  2. EOS_2_phonons EOS_2_phonons Public

    Shell 2

  3. supercell_generator supercell_generator Public

    Python 1

  4. search_neg_freqs search_neg_freqs Public

    Python 1

  5. Common_Tangent Common_Tangent Public

    Mathematica 3

  6. QHA QHA Public

    Implementing the quasi-harmonic approximation in 3D

    Python 2 1