get_charged_structures#
- atomate2.common.jobs.defect.get_charged_structures(structure, charges)[source]#
Add charges to a structure.
This needs to be a job so the results of other jobs can be passed in.
- Parameters:
structure (Structure) – A structure.
charges (Iterable) – A list of charges on the structure
- Returns:
A dictionary with the two structures with the charge states added.
- Return type: