Symmetries written to trace.txt file should belong to the primitive cell (used in the DFT calculation), but they were written for the convenctional cell. Hence, the routine ChecktopologicalMat couldn't determine correctly the space group.
(Kartik's error feedback) In the method write_trace_all belonging to the class Kpoint, there was a call to the undefined variable symmetries_SG. It should be self.symmetries_SG, which is an attribute defined when initializing the class.
This PR corrects 2 bugs:
trace.txtfile should belong to the primitive cell (used in the DFT calculation), but they were written for the convenctional cell. Hence, the routineChecktopologicalMatcouldn't determine correctly the space group.write_trace_allbelonging to the classKpoint, there was a call to the undefined variablesymmetries_SG. It should beself.symmetries_SG, which is an attribute defined when initializing the class.