nat, iso, norbitals, ncix, natom 2 1 4 4 4 nkpt, nmat, nume 9020 644 94 Qcomplex T lmax2, maxdim2, maxdim, maxsize 3 5 5 5 nindo 5 5 5 5 cidim 5 5 5 5 nl 1 1 1 1 ll, iorbital, cix, nind 2 1 1 5 2 2 2 5 2 3 3 5 2 4 4 5 csize 5 5 5 5 iSx 1 2 3 4 5 1 2 3 4 5 1 2 3 4 5 1 2 3 4 5 Sigind 1 0 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 4 0 0 0 0 0 5 1 0 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 4 0 0 0 0 0 5 1 0 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 4 0 0 0 0 0 5 1 0 0 0 0 0 2 0 0 0 0 0 3 0 0 0 0 0 4 0 0 0 0 0 5 EF, VOL 0.815166333880087 612.076826189209