CONTCAR (cusp.contcar)

Output data type for structure data written to the CONTCAR generated by a VASP calculation. This data type is identical to the VaspPoscarData and only implemented to differentiate between the input and output structure of a VASP calculation. In order to simplify the access to the file’s contents the class implements the get_contcar() (see below) For other methods also available from the class please refer to the VaspPoscarData documentation.

Implemented Methods and Attributes

VaspContcarData.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