aiida_vasp.parsers.content_parsers.doscar

The DOSCAR parser interface.

Contains the parsing interfaces to parsevasp used to parse DOSCAR content.

Module Contents

Classes

DoscarParser

The parser interface that enables parsing of DOSCAR content.

API

class aiida_vasp.parsers.content_parsers.doscar.DoscarParser(*, handler: TextIO | BinaryIO | None = None, data: aiida.orm.Data | None = None, settings: dict[str, Any] | None = None, options: dict[str, Any] | None = None, raise_errors: bool = False)

Bases: aiida_vasp.parsers.content_parsers.base.BaseFileParser

The parser interface that enables parsing of DOSCAR content.

The parser is triggered by using the doscar-dos quantity key. The quantity key dos will on the other hand parse the structure using the XML parser.

Initialization

DEFAULT_SETTINGS = None

PARSABLE_QUANTITIES = None

_init_from_handler(handler: TextIO) → None

Initialize a parsevasp object of Doscar using a file like handler.

Parameters:

handler (file-like object) – A file like object that provides the necessary DOSCAR content to be parsed.

property dos

Return the total and partial density of states, and in addition some metadata.

Returns:

A dict containing the keys tdos, pdos and header, which contain for the two first, NumPy arrays for the total density of states and partial density of states, respectively.

Return type:

dict