atomate2.vasp.sets.core

Module defining core VASP input set generators.

Classes

ElectronPhononSetGenerator

Class to generate VASP electron phonon input sets.

HSEBSSetGenerator

Class to generate VASP HSE06 band structure input sets.

HSERelaxSetGenerator

Class to generate VASP HSE06 relaxation input sets.

HSEStaticSetGenerator

Class to generate VASP HSE06 static input sets.

HSETightRelaxSetGenerator

Class to generate tight VASP HSE relaxation input sets.

LobsterTightStaticSetGenerator

Class to generate well-converged statics for LOBSTER analysis.

MDSetGenerator

Class to generate VASP molecular dynamics input sets.

NonSCFSetGenerator

Class to generate VASP non-self-consistent field input sets.

RelaxConstVolSetGenerator

Class to generate VASP constant volume relaxation input sets.

RelaxSetGenerator

Class to generate VASP relaxation input sets.

StaticSetGenerator

Class to generate VASP static input sets.

TYPE_CHECKING

bool(x) -> bool

TightRelaxConstVolSetGenerator

Class to generate constant volume tight VASP relaxation input sets.

TightRelaxSetGenerator

Class to generate tight VASP relaxation input sets.