CONTCAR¶

class py4vasp.raw.CONTCAR(structure: ~py4vasp._raw.data.Structure, system: str, selective_dynamics: ~py4vasp._raw.data_wrapper.VaspData = <factory>, lattice_velocities: ~py4vasp._raw.data_wrapper.VaspData = <factory>, ion_velocities: ~py4vasp._raw.data_wrapper.VaspData = <factory>, _predictor_corrector: ~py4vasp._raw.data_wrapper.VaspData = <factory>)¶

Bases: object

The data corresponding to the CONTCAR file.

The CONTCAR file contains structural information (lattice, positions, topology), relaxation constraints, and data relevant for continuation calculations.