aiida_vibroscopy.data.vibro_lr

Mixin for vibrational data.

Module Contents

Classes

VibrationalData

Vibrational data for IR and Raman spectra.

class aiida_vibroscopy.data.vibro_lr.VibrationalData(structure: aiida.orm.StructureData | None = None, phonopy_atoms: phonopy.structure.cells.PhonopyAtoms | None = None, supercell_matrix: list | None = None, primitive_matrix: list | None = None, symprec: float = 1e-05, is_symmetry: bool = True, distinguish_kinds: bool = True, **kwargs)

Bases: aiida_phonopy.data.force_constants.ForceConstantsData, aiida_vibroscopy.data.vibro_mixin.VibrationalMixin

Vibrational data for IR and Raman spectra.