run_adslabs_job

atomate2.vasp.jobs.adsorption.run_adslabs_job(adslab_structures, relax_maker, static_maker)[source]

Workflow of running the adsorption slab calculations.

Parameters:
  • adslab_structures (list[Structure]) – The list of all possible configurations of slab structures with adsorbates.

  • relax_maker (AdslabRelaxMaker) – The relaxation maker for the adsorption slab structures.

  • static_maker (SlabStaticMaker) – The static maker for the adsorption slab structures.

Returns:

The flow of the adsorption slab calculations.

Return type:

Flow