pengwann.io.read_xyz

io.read_xyz(path)

Parse the symbols and coordinates from a Wannier90 seedname_centres.xyz file.

Parameters:

pathstr

The filepath to seedname_centres.xyz

Returns:

symbolslist of str

The elemental symbol for each Wannier centre or atom in the xyz file.

coordslist of tuple of float

The cartesian coordinates for each Wannier centre or atom in the xyz file.