atomate2.vasp.flows.mpΒΆ

Module defining Materials Project workflows.

Reference: https://doi.org/10.1103/PhysRevMaterials.6.013801

In case of questions, consult @Andrew-S-Rosen, @esoteric-ephemera or @janosh.

Classes

MPGGADoubleRelaxMaker

MP GGA double relaxation workflow.

MPGGADoubleRelaxStaticMaker

Maker to perform a VASP GGA relaxation workflow with MP settings.

MPMetaGGADoubleRelaxMaker

MP meta-GGA double relaxation workflow.

MPMetaGGADoubleRelaxStaticMaker

Flow with optional pre-relax and final static jobs.

MPVaspLobsterMaker

Maker to perform a Lobster computation.

TYPE_CHECKING

bool(x) -> bool