aiida_cusp.data.outputs.vasp_contcar module

Datatype and methods to initialize and interact with VASP specific CONTCAR output data

class aiida_cusp.data.outputs.vasp_contcar.VaspContcarData(*args, **kwargs)

Bases: VaspPoscarData

AiiDA compatible node representing a VASP CONTCAR output data object

Added as separate output node for easier access when used as calculation input for restarted VASP calculations.

get_contcar()

Create and return a pymatgen.io.vasp.inputs.Poscar instance initialized from the node’s stored output structure data content.

Returns:

a pymatgen Poscar instance

Return type:

pymatgen.io.vasp.inputs.Poscar