BandStructureMaker

class atomate2.aims.jobs.core.BandStructureMaker(name='bands', 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)[source]

Bases: BaseAimsMaker

A job Maker for a band structure calculation.

Parameters:
  • calc_type (str) – The type key for the calculation

  • name (str) – The job name

  • input_set_generator (.BandStructureSetGenerator) – The InputGenerator for the calculation

  • 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)