atomate2.vasp.jobs.ferroelectricΒΆ

Job used in the Ferroelectric wflow.

Functions

add_interpolation_flow

Generate the interpolations jobs and add them to the main ferroelectric flow.

get_polarization_output

Extract from lcalcpol job all the relevant output to compute the polarization.

interpolate_structures

Interpolate linearly the polar and the nonpolar structures with nimages structures.

polarization_analysis

Recover the same branch polarization and the spontaneous polarization.

Classes

TYPE_CHECKING

bool(x) -> bool