principia_materia.hamiltonian package

Submodules

• principia_materia.hamiltonian.electron_hamiltonian module
  • ElectronHamiltonian
    • ElectronHamiltonian.diagonalize_hamiltonians()
    • ElectronHamiltonian.get_embeded_self_energy()
    • ElectronHamiltonian.get_fermi_energy()
    • ElectronHamiltonian.get_hamiltonian_matrices_at_kpoints()
    • ElectronHamiltonian.get_state()
    • ElectronHamiltonian.get_total_energy()
    • ElectronHamiltonian.hartree_fock()
    • ElectronHamiltonian.set_density_matrix()
    • ElectronHamiltonian.set_fermi_energy()
    • ElectronHamiltonian.set_hamiltonian()
      • ElectronHamiltonian._hamiltonian
    • ElectronHamiltonian.set_nd()
    • ElectronHamiltonian.set_self_energy()
    • ElectronHamiltonian.set_total_energy()
• principia_materia.hamiltonian.hamiltonian module
  • Hamiltonian
    • Hamiltonian.compute_DOS()
      • Hamiltonian._dos
      • Hamiltonian._cdos
    • Hamiltonian.compute_PDOS()
      • Hamiltonian._pdos
      • Hamiltonian._cpdos
    • Hamiltonian.decimal
    • Hamiltonian.diagonalize_hamiltonians()
    • Hamiltonian.get_hamiltonian_matrices_at_kpoints()
    • Hamiltonian.is_kpoints_from_mesh
    • Hamiltonian.nspin
    • Hamiltonian.set_charmblochrep()
    • Hamiltonian.set_eigenvalues()
    • Hamiltonian.set_hamiltonian()
    • Hamiltonian.set_hamiltonian_at_kpoints()
    • Hamiltonian.set_hamiltonian_from_mesh()
    • Hamiltonian.set_tetrahedra()
    • Hamiltonian.spin
    • Hamiltonian.units
• principia_materia.hamiltonian.model_hamiltonian module
  • ModelHamiltonian
    • ModelHamiltonian.from_dict()
    • ModelHamiltonian.get_hamiltonian_at_kpoint()
    • ModelHamiltonian.hamiltonian_matrices
    • ModelHamiltonian.nortbials
    • ModelHamiltonian.set_hamiltonian()
    • ModelHamiltonian.tpoints
  • format_hamiltonian_to_yaml()
  • get_ModelHamiltonian_hdf5_wrapper()
  • get_ModelHamiltonian_yaml_wrapper()
  • get_modelhamiltonian_from_hdf5()
  • get_modelhamiltonian_from_yaml()
  • load_hamiltonian()
  • save_modelhamiltonian_to_hdf5()
  • save_modelhamiltonian_to_yaml()
• principia_materia.hamiltonian.phonon_hamiltonian module
  • PhononHamiltonian
    • PhononHamiltonian.diagonalize_hamiltonians()
    • PhononHamiltonian.get_hamiltonian_matrices_at_kpoints()
    • PhononHamiltonian.set_hamiltonian()
      • PhononHamiltonian._hamiltonian

Module contents