5.26.1. io.cube.read_cube¶

eminus.io.cube.read_cube(filename)[source]¶

Load atom and cell data from CUBE files.

There is no standard for CUBE files. The following format has been used. File format definition: https://h5cube-spec.readthedocs.io/en/latest/cubeformat.html

Parameters:: filename – CUBE input file path/name.
Returns:: Species, positions, charges, cell size, sampling, and field array.