httk.io.vasp.oszicar

String-preserving reader for VASP OSZICAR files.

Electronic iterations are attached to the following ionic summary, as VASP writes them. If the file ends before that summary, a final entry with n, F, E0, dE, and mag all set to None preserves the trailing electronic block.

Functions

read_oszicar(source)

Read OSZICAR text without converting numeric lexemes.

Module Contents

httk.io.vasp.oszicar.read_oszicar(source)

Read OSZICAR text without converting numeric lexemes.

Electronic iterations are attached to the following ionic summary. A trailing electronic block is retained as an incomplete final entry when no summary follows it.

Parameters:

source (Any) – OSZICAR filename, text stream, or iterable of source lines.

Returns:

A neutral payload containing ionic steps and parsing issues.

Return type:

dict[str, Any]