aim2dat.io.xmgrace

Functions to read plot-files of xmgrace.

Module Contents

Functions

read_band_structure(file_path, kpoints)

Read xmgrace band structure file.

read_xmgrace_file(file_path)

Read xmgrace plot filies.
aim2dat.io.xmgrace.read_band_structure(file_path, kpoints)[source]

Read xmgrace band structure file.

Parameters:

  • file_path (str) – Path to the xmgrace file.

  • kpoints (list) – List of tuples containing the label and the k-point.

Returns:

band_structures (list) – List of band structures.

aim2dat.io.xmgrace.read_xmgrace_file(file_path)[source]

Read xmgrace plot filies.

Up to now the functionality is very limited. xy-data is read and grouped by the line-color.

Notes

TODO: Increase functionality and generality.

Parameters:

file_path (str) – Path to the xmgrace file.

Returns:

  • x_values (list) – Nested list of the x-values.

  • y_values (list) – Nested list of the y-values.

  • tick_labels (tuple) – Tuple of dictionaries containing the position on the x-axis (“pos”) and the label (“label”).