magnopy.io.output_k_resolved#

magnopy.io.output_k_resolved(data, data_headers=None, output_filename=None, kpoints=None, relative=False, rcell=None, flat_indices=None, digits=4, scientific_notation=True)[source]#

Outputs any k-resolved data.

Deprecated since version 0.2.0: Always meant to be a temporary solution. This function will be removed in March of 2026

Parameters:
data(N, M) array-like

Some k-resolved data. N (\(\ge 1\)) is the amount of kpoints. M is the number of data modes/entries.

data_headers(N, ) list of str, optional

Header for the data columns. [f"data {i+1} for i in range(len(data))] by default.

output_filenamestr, optional

Name of the file for saving the data. If None, then return a list of lines.

kpoints(N, 3) array-like, optional

List of the kpoints. kpoints[i] correspond to the data[i].

relativebool, default False

If relative == True, then given kpoints are interpreted as relative to the reciprocal unit cell. Otherwise they are interpreted as absolute coordinates.

rcell(3, 3) array-like, optional

Reciprocal unit cell. Rows are interpreted as vectors, columns as Cartesian coordinates.

flat_indices(N, 3) array-like, optional

kpoints converted to the list of floats according to some rule. Typically used for plotting the band structure. If None provided, then computed automatically, based on the distance of the given kpoints (whether absolute or relative).

digitsint, default 4

Number of digits after the comma for the data elements.

scientific_notationbool, default True

Whether to use scientific notation for the data elements.

Returns:
linesstr

Only returned if output_filename is None. Use print("\n".join(lines)) to output the results to the standard output stream.