aiida_vasp.parsers.content_parsers.eigenval

The EIGENVAL parser interface.

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

Module Contents

Classes

EigenvalParser

The parser interface that enables parsing of EIGENVAL content.

API

class aiida_vasp.parsers.content_parsers.eigenval.EigenvalParser(*, 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 EIGENVAL content.

The parser is triggered by using the eigenval-eigenvalues and/or eigenval-kpoints quantity key. The quantity keys eigenvalues and kpoints will on the other hand parse the eigenvalues and/or kpoints using the XML parser.

Initialization

DEFAULT_SETTINGS = None

PARSABLE_QUANTITIES = None

_init_from_handler(handler: TextIO) → None

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

Parameters:

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

property eigenvalues

Return the eigenvalue and metadata in the EIGENVAL.

Returns:

A dict containing the keys eigenvalues and metadata, which contain a NumPy array of the eigenvalues and a dict with metadata, respectively.

Return type:

dict

property kpoints

Return the kpoints and metadata in the EIGENVAL.

Returns:

A dict containing the keys kpoints and metadata, which contain a NumPy array of the k-points and a dict with metadata, respectively.

Return type:

dict