LineModeBandStructureMaker#

class atomate2.vasp.flows.core.LineModeBandStructureMaker(name='line band structure', static_maker=<factory>, bs_maker=<factory>)[source]#

Bases: Maker

Maker to generate line mode VASP band structure.

This is a static calculation followed by a line mode non-self-consistent field calculations.

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

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

  • bs_maker (.BaseVaspMaker) – The maker to use for the non-self-consistent field calculations.

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

Create a line mode band structure flow.

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

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

Returns:

A line mode band structure flow.

Return type:

Flow