atomate2.vasp.jobsΒΆ

Jobs for running VASP calculations.

Modules

adsorption

Jobs used in the calculation of surface adsorption energy.

amset

Module defining jobs for combining AMSET and VASP calculations.

base

Definition of base VASP job maker.

core

Core jobs for running VASP calculations.

defect

Jobs for defect calculations.

elastic

Jobs used in the calculation of elastic tensors.

elph

Jobs for performing electron phonon calculations in VASP.

eos

Module to define EOS jobs using the default atomate2 parameters.

ferroelectric

Job used in the Ferroelectric wflow.

lobster

Module defining amset jobs.

matpes

Module defining MatPES job makers.

md

Module defining molecular dynamics jobs.

mp

Module defining Materials Project job makers.

mpmorph

Jobs that compose MPMorph flows.

mvl

Core jobs for running VASP calculations.

phonons

Define the PhononDisplacementMaker for VASP.