0 6 4 6 # specification of the k-mesh 8.0 # electron density 4 # number of atoms 0 0 2 3 0 0 # atom, sort, l, dim, SO, irep 1 0 2 3 0 0 # atom, sort, l, dim, SO, irep 2 0 2 3 0 0 # atom, sort, l, dim, SO, irep 3 0 2 3 0 0 # atom, sort, l, dim, SO, irep 0.0 # DFT Fermi Energy (optional)