Dear all, What does the value of m stand for in pdosxml/m_orbital_chooser.f90. I am not sure how does siesta separate these orbitals. What I understand is, For example For p orbital, m=-1, 0 , 1 are px, py, pz orbital. For d orbital, m=-2, -1, 0, 1, 2 are dxy, dyz, dzx, dz2, dx2-y2 or dxy, dxz, dz2, dyz, dx2-y2 or some other order?
Does anyone know the correct answer? Thank you very much. Regards, GaoMin
