Final improvement of special points matching
@ndaelman @himanel1 during summer, I'd like to have some time to finish the proper matching of labels for band structures.
I realized that there is an utility method, atomsutils.find_match
that accounts only for absolute distances between the list of special points and the kpoints written by parsers in band_structure.segments.kpoints
. This essentially means that other symmetry related points cannot be matched properly.
E.g., in cP, only [1/2, 0, 0] will be match with 'X'
, but not all the other possibilities, [-1/2, 0, 0], [0, 1/2, 0], etc.
Let's see if it is not too lengthy