aiida_cusp.data.outputs.vasp_contcar module¶
Datatype and methods to initialize and interact with VASP specific CONTCAR output data
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class
aiida_cusp.data.outputs.vasp_contcar.
VaspContcarData
(*args, **kwargs)¶ Bases:
aiida_cusp.data.inputs.vasp_poscar.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.
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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
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