pymatgen.phonon package
Subpackages
Submodules
- pymatgen.phonon.bandstructure module
PhononBandStructure
PhononBandStructure.as_dict()
PhononBandStructure.asr_breaking()
PhononBandStructure.from_dict()
PhononBandStructure.get_nac_eigendisplacements_along_dir()
PhononBandStructure.get_nac_frequencies_along_dir()
PhononBandStructure.has_eigendisplacements
PhononBandStructure.has_imaginary_freq()
PhononBandStructure.has_nac
PhononBandStructure.min_freq()
PhononBandStructureSymmLine
PhononBandStructureSymmLine.as_dict()
PhononBandStructureSymmLine.as_phononwebsite()
PhononBandStructureSymmLine.band_reorder()
PhononBandStructureSymmLine.from_dict()
PhononBandStructureSymmLine.get_branch()
PhononBandStructureSymmLine.get_equivalent_qpoints()
PhononBandStructureSymmLine.write_phononwebsite()
eigenvectors_from_displacements()
estimate_band_connection()
get_reasonable_repetitions()
- pymatgen.phonon.dos module
- pymatgen.phonon.gruneisen module
- pymatgen.phonon.ir_spectra module
- pymatgen.phonon.plotter module
- pymatgen.phonon.thermal_displacements module
ThermalDisplacementMatrices
ThermalDisplacementMatrices.B
ThermalDisplacementMatrices.U1U2U3
ThermalDisplacementMatrices.Ucif
ThermalDisplacementMatrices.Ustar
ThermalDisplacementMatrices.beta
ThermalDisplacementMatrices.compute_directionality_quality_criterion()
ThermalDisplacementMatrices.from_Ucif()
ThermalDisplacementMatrices.from_cif_P1()
ThermalDisplacementMatrices.from_structure_with_site_properties_Ucif()
ThermalDisplacementMatrices.get_full_matrix()
ThermalDisplacementMatrices.get_reduced_matrix()
ThermalDisplacementMatrices.ratio_prolate
ThermalDisplacementMatrices.to_structure_with_site_properties_Ucif()
ThermalDisplacementMatrices.visualize_directionality_quality_criterion()
ThermalDisplacementMatrices.write_cif()
Module contents
Phonon DOS and bandstructure analysis package.