atomate2.vasp.jobs.mp

Module defining Materials Project job makers.

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

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

Classes

MP24PreRelaxMaker

Maker to create MP2024 pre-relaxation jobs with PBEsol.

MP24RelaxMaker

Maker to create MP2024 relaxation jobs with r2SCAN.

MP24StaticMaker

Maker to create MP2024 static jobs with r2SCAN.

MPGGARelaxMaker

Maker to create VASP relaxation job using PBE GGA by default.

MPGGAStaticMaker

Maker to create VASP static job using PBE GGA by default.

MPMetaGGARelaxMaker

Maker to create VASP relaxation job using r2SCAN by default.

MPMetaGGAStaticMaker

Maker to create VASP static job using r2SCAN by default.

MPPreRelaxMaker

Maker to create VASP pre-relaxation job using PBEsol by default.

TYPE_CHECKING

bool(x) -> bool