class atomate2.vasp.flows.core.RelaxBandStructureMaker(name='relax and band structure', relax_maker=<factory>, band_structure_maker=<factory>)[source]#

Bases: Maker

Make to create a flow with a relaxation and then band structure calculations.

By default, this workflow generates relaxations using the DoubleRelaxMaker.

  • name (str) – Name of the flows produced by this maker.

  • relax_maker (.BaseVaspMaker) – The maker to use for the static calculation.

  • band_structure_maker (.BaseVaspMaker) – The maker to use for the line and uniform band structure calculations.

make(structure, prev_vasp_dir=None)[source]#

Run a relaxation and then calculate the uniform and line mode band structures.

  • structure (.Structure) – A pymatgen structure object.

  • prev_vasp_dir (str or Path or None) – A previous VASP calculation directory to copy output files from.


A relax and band structure flow.

Return type: