atomate2.vasp.flows

Flows for running VASP calculations.

Modules

adsorption	Flow for calculating surface adsorption energies.
amset	Flows for calculating transport properties using VASP.
core	Core VASP flows.
defect	Flows used in the calculation of defect properties.
elastic	Flows for calculating elastic constants.
electrode	Flow for electrode analysis with specific VASP implementations.
elph	Flows for electron phonon calculations.
eos	Module defining equation of state workflows.
ferroelectric	Flows for calculating the polarization of a polar material.
gruneisen	Flows for calculating Grueneisen-Parameters.
lobster	Flows for Lobster computations.
matpes	Module defining MatPES flows.
md	Flows for running molecular dynamics simulations.
mp	Module defining Materials Project workflows.
phonons	Define the VASP PhononMaker.
qha	Define QHA flow for VASP.