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: