:GMA : POTENTIAL AND CHARGE CUT-OFF 12.00 Ry**.5 Bandranges (emin - emax) and occupancy: :BAN00026: 26 0.262935 0.298700 2.00000000 :BAN00027: 27 0.276131 0.319368 2.00000000 :BAN00028: 28 0.300502 0.350964 2.00000000 :BAN00029: 29 0.326171 0.382119 2.00000000 :BAN00030: 30 0.360555 0.421033 2.00000000 :BAN00031: 31 0.366898 0.464119 2.00000000 :BAN00032: 32 0.395098 0.473743 2.00000000 :BAN00033: 33 0.410969 0.493242 1.95006248 :BAN00034: 34 0.429323 0.503801 1.81199708 :BAN00035: 35 0.445956 0.571278 0.17852934 :BAN00036: 36 0.446709 0.629192 0.05940318 :BAN00037: 37 0.533181 0.682890 0.00000000 :BAN00038: 38 0.534554 0.714920 0.00000000 :BAN00039: 39 0.673596 0.815714 0.00000000 :BAN00040: 40 0.726029 0.865029 0.00000000 :BAN00041: 41 0.808635 0.942198 0.00000000 Energy to separate low and high energystates: 0.08171 :NLDA : NUMBER OF ELECTRONS = 68.000 :FLDA : F E R M I - ENERGY = 0.97516 :POS001: AT.NR. -1 POSITION = 0.50000 0.00000 0.25000 MULTIPLICITY = 2 LMMAX 8 LM= 0 0 2 0 -3 2 4 0 4 4 -5 2 6 0 6 4 :POS002: AT.NR. -2 POSITION = 0.50000 0.00000 0.25000 MULTIPLICITY = 2 LMMAX 10 LM= 0 0 1 0 2 0 3 0 4 0 4 4 5 0 5 4 6 0 6 4 :POS003: AT.NR. -3 POSITION = 0.50000 0.00000 0.25000 MULTIPLICITY = 1 LMMAX 6 LM= 0 0 2 0 4 0 4 4 6 0 6 4