atomate2.vasp.jobs.amset

Module defining jobs for combining AMSET and VASP calculations.

Functions

calculate_deformation_potentials	Generate the deformation.h5 (containing deformation potentials) using AMSET.
calculate_polar_phonon_frequency	Calculate the polar phonon frequency using amset.
generate_wavefunction_coefficients	Generate wavefunction.h5 file using amset.
run_amset_deformations	Run amset deformations.

Classes

DenseUniformMaker	Maker to perform a dense uniform non-self consistent field calculation.
HSEDenseUniformMaker	Maker to perform a dense uniform non-self consistent field calculation.
HSEStaticDeformationMaker	Maker to perform a HSE06 static calculations on structural deformations.
StaticDeformationMaker	Maker to perform a static calculations on structural deformations.
TYPE_CHECKING	bool(x) -> bool