atomistics.shared.output.OutputPhonons

class atomistics.shared.output.OutputPhonons(mesh_dict: Callable[[], object], band_structure_dict: Callable[[], object], total_dos_dict: Callable[[], object], dynamical_matrix: Callable[[], object], force_constants: Callable[[], object])

Bases: Output

Output data for a phonon calculation.

mesh_dict

Callable returning the phonon mesh sampling results.

Type:

OutputCallable

band_structure_dict

Callable returning the phonon band structure along high-symmetry paths.

Type:

OutputCallable

total_dos_dict

Callable returning the total phonon density of states.

Type:

OutputCallable

dynamical_matrix

Callable returning the dynamical matrix.

Type:

OutputCallable

force_constants

Callable returning the interatomic force constants matrix.

Type:

OutputCallable

__init__(mesh_dict: Callable[[], object], band_structure_dict: Callable[[], object], total_dos_dict: Callable[[], object], dynamical_matrix: Callable[[], object], force_constants: Callable[[], object]) → None

Methods

__init__(mesh_dict, band_structure_dict, ...)
get(output_keys)	Get the specified output data.
keys()	Get the keys of the output data class.

Attributes

mesh_dict
band_structure_dict
total_dos_dict
dynamical_matrix
force_constants

get(output_keys: Iterable[str]) → dict

Get the specified output data.

Parameters:

output_keys (tuple) – The keys of the output data to retrieve.

Returns:

The output data.

Return type:

dict

classmethod keys() → tuple

Get the keys of the output data class.

Returns:

The keys of the output data class.

Return type:

tuple