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spgrep-modulation 0.0.0

Contents

  • Introduction
  • Examples
    • Sewing band structure by subduced representation
    • Visualize modulated structures with nglview
  • Formulation
    • Lattice vibration
    • Isotropy subgroup
  • API reference
    • Modulation
    • Irreps
    • Isotropy subgroup
  • Change log
  • Implementation notes
    • Symmetry condition for group velocity
    • Supercell construction
    • Band connectivity
  • .md

API Reference

API Reference#

  • Modulation
    • Modulation
      • Modulation.dynamical_matrix
      • Modulation.primitive_symmetry
      • Modulation.little_rotations
      • Modulation.little_translations
      • Modulation.primitive
      • Modulation.supercell
      • Modulation.qpoint
      • Modulation.unit_conversion_factor
      • Modulation.degeneracy_tolerance
      • Modulation.eigenspaces
      • Modulation.get_modulated_supercell_and_modulation()
      • Modulation.get_modulated_supercells()
      • Modulation.get_high_symmetry_modulated_supercells()
      • Modulation.with_supercell_and_symmetry_search()
      • Modulation.eigvals_to_frequencies()
      • Modulation.apply_modulation_to_supercell()
  • Irreps
    • project_eigenmode_representation()
    • get_eigenmode_representation()
  • Isotropy subgroup
    • IsotropyEnumerator
      • IsotropyEnumerator.little_rotations
      • IsotropyEnumerator.little_translations
      • IsotropyEnumerator.qpoint
      • IsotropyEnumerator.small_rep
      • IsotropyEnumerator.maximal_isotropy_subgroups
      • IsotropyEnumerator.order_parameter_directions
    • get_translational_subgroup()
    • enumerate_point_subgroup()
    • search_compliment()

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Isotropy subgroup

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Modulation

By Kohei Shinohara

© Copyright 2022, Kohei Shinohara.