ApproxNebImageRelaxMaker

class atomate2.vasp.jobs.approx_neb.ApproxNebImageRelaxMaker(name='ApproxNEB image relax', input_set_generator=<factory>, write_input_set_kwargs=<factory>, copy_vasp_kwargs=<factory>, run_vasp_kwargs=<factory>, task_document_kwargs=<factory>, stop_children_kwargs=<factory>, write_additional_data=<factory>)

Bases: RelaxMaker

Maker to perform a double relaxation on an ApproxNEB endpoint/image structure.

Very important here - we are doing a double relaxation in the atomate style, where one job maps to two VASP calculations.

Parameters:

• name (str)

• input_set_generator (VaspInputGenerator)

• write_input_set_kwargs (dict)

• copy_vasp_kwargs (dict)

• run_vasp_kwargs (dict)

• task_document_kwargs (dict)

• stop_children_kwargs (dict)

• write_additional_data (dict)