Density functional theory The orbital magnetization in three-dimensional k-space is given by ref. 10 $${{\bf{M}}}^{{\rm{BO}}}= \dfrac{e}{2\hslash}{{\rm{Im}}}{\sum }_{n}\int_{{\rm{BZ}}}\dfrac{d{{\bf{k}}}}{\left(2\pi \right)^{3}}\,{f}_{n{{\bf{k}}}}\left\langle…