Hello all, It looks to me in my calculation of a graphene nanoribbon that time-reversal symmetry was used to reduce the k-points:
%block kgrid_Monkhorst_Pack 5 0 0 0.0 0 1 0 0.0 0 0 1 0.0 %endblock kgrid_Monkhorst_Pack Kpoints in: 3 . Kpoints trimmed: 3 siesta: k-point coordinates (Bohr**-1) and weights: siesta: 1 0.000000 0.000000 0.000000 0.200000 siesta: 2 0.035388 0.000000 0.000000 0.400000 My system does not have inversion symmetry, and in fact it does not have time-reversal symmetry either since I used DM.InitSpin, and the system is magnetic on the edges. Is there a way to prevent the erroneous use of time-reversal symmetry in reducing the k-points? It seems to me it would be safer to assume there is no time-reversal symmetry whenever DM.InitSpin is used. David Strubbe MIT
