atomate2.vasp.jobsΒΆ

Jobs for running VASP calculations.

Modules

atomate2.vasp.jobs.amset

Module defining jobs for combining AMSET and VASP calculations.

atomate2.vasp.jobs.base

Definition of base VASP job maker.

atomate2.vasp.jobs.core

Core jobs for running VASP calculations.

atomate2.vasp.jobs.defect

Jobs for defect calculations.

atomate2.vasp.jobs.elastic

Jobs used in the calculation of elastic tensors.

atomate2.vasp.jobs.elph

Jobs for performing electron phonon calculations in VASP.

atomate2.vasp.jobs.eos

Module to define EOS jobs using the default atomate2 parameters.

atomate2.vasp.jobs.lobster

Module defining amset jobs.

atomate2.vasp.jobs.matpes

Module defining MatPES job makers.

atomate2.vasp.jobs.md

Module defining molecular dynamics jobs.

atomate2.vasp.jobs.mp

Module defining Materials Project job makers.

atomate2.vasp.jobs.phonons

Define the PhononDisplacementMaker for VASP.