PhononDisplacementMaker

class atomate2.aims.jobs.phonons.PhononDisplacementMaker(name='phonon static aims', input_set_generator=<factory>, write_input_set_kwargs=<factory>, copy_aims_kwargs=<factory>, run_aims_kwargs=<factory>, task_document_kwargs=<factory>, stop_children_kwargs=<factory>, write_additional_data=<factory>, store_output_data=True)

Bases: BaseAimsMaker

Maker to perform a static calculation as a part of the finite displacement method.

The input set is for a static run with tighter convergence parameters. Both the k-point mesh density and convergence parameters are stricter than a normal relaxation.

Parameters:

• name (str) – The job name.

• input_set_generator (.AimsInputGenerator) – A generator used to make the input set.

• write_input_set_kwargs (dict[str, Any])

• copy_aims_kwargs (dict[str, Any])

• run_aims_kwargs (dict[str, Any])

• task_document_kwargs (dict[str, Any])

• stop_children_kwargs (dict[str, Any])

• write_additional_data (dict[str, Any])

• store_output_data (bool)