584
584
C ----------------------------------------------------------------------
585
585
C integer nspin : Number of different spin polarisations
586
586
C nspin=1 => Unpolarized, nspin=2 => polarized
588
588
C integer norb : Total number of basis orbitals in supercell
589
589
C integer iaorb(norb) : Atom to which each orbital belongs
590
590
C integer iphorb(norb) : Orbital index (within atom) of each orbital