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