atomate2.vasp.flows.coreΒΆ

Core VASP flows.

Classes

BandStructureMaker

Maker to generate VASP band structures.

DoubleRelaxMaker

Maker to perform a double VASP relaxation.

HSEBandStructureMaker

Maker to generate VASP HSE band structures.

HSELineModeBandStructureMaker

Maker to generate VASP HSE line mode band structures.

HSEOpticsMaker

Maker to create HSE optical absorption calculation VASP jobs.

HSEUniformBandStructureMaker

Maker to generate VASP HSE uniform band structures.

LineModeBandStructureMaker

Maker to generate line mode VASP band structure.

OpticsMaker

Maker to create optical absorption calculation VASP jobs.

RelaxBandStructureMaker

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

TYPE_CHECKING

bool(x) -> bool

UniformBandStructureMaker

Maker to generate uniform VASP band structure.