:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.251013    0.282417  2.00000000
:BAN00027:  27    0.263087    0.309299  2.00000000
:BAN00028:  28    0.294291    0.341312  2.00000000
:BAN00029:  29    0.314135    0.374222  2.00000000
:BAN00030:  30    0.349181    0.414374  2.00000000
:BAN00031:  31    0.353565    0.462926  2.00000000
:BAN00032:  32    0.396246    0.470909  2.00000000
:BAN00033:  33    0.402965    0.485135  1.96460172
:BAN00034:  34    0.427721    0.515651  1.74926415
:BAN00035:  35    0.441798    0.567818  0.27615659
:BAN00036:  36    0.465450    0.631876  0.00998980
:BAN00037:  37    0.529101    0.673360  0.00000000
:BAN00038:  38    0.534026    0.737271  0.00000000
:BAN00039:  39    0.675730    0.800621  0.00000000
:BAN00040:  40    0.728028    0.839290  0.00000000
:BAN00041:  41    0.789219    0.889456  0.00000000
        Energy to separate low and high energystates:    0.04908


:NLDA  : NUMBER OF ELECTRONS          =  68.000

:FLDA  : F E R M I - ENERGY           =   0.97397




: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


:NOE  : NUMBER OF ELECTRONS          =  68.000

:FER  : F E R M I - ENERGY           =   0.56689

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    13.130248
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL001: 0.4017 6.4674 6.2220 0.0310 2.1342 4.3332 0.0000 1.2474 1.2952 1.1690 2.5104 0.0000
        Q-s-low E-s-low   Q-p-low E-p-low   Q-d-low E-d-low   Q-f-low E-f-low
:EPL001:  0.0959 -0.3373    6.0694 -3.3785    0.0784 -0.3277    0.0069 -0.5798
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi 
:EPH001:  0.3058  0.2181    0.3980  0.2524    6.1436  0.3934    0.0241  0.3050
:VZZ001: EFG INSIDE SPHERE   1 =     2.020597      UP TO R =   2.39000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =    12.691330
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL002: 1.1486 1.512610.0175 0.0105 0.4925 1.0201 0.0000 2.0058 2.0047 2.0033 4.0037 0.0000
        Q-s-low E-s-low   Q-p-low E-p-low   Q-d-low E-d-low   Q-f-low E-f-low
:EPL002:  1.0582 -0.2941    0.0123 -0.4410    9.9529 -2.0538    0.0003 -2.1682
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi 
:EPH002:  0.0903  0.2787    1.5004  0.2532    0.0645  0.3721    0.0102  0.3958
:VZZ002: EFG INSIDE SPHERE   2 =     2.639192      UP TO R =   2.08000

:CHA003: TOTAL CHARGE INSIDE SPHERE   3 =     8.279711
:PCS003: PARTIAL CHARGES SPHERE =  3 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL003: 2.0562 5.9188 0.2934 0.0100 1.9739 3.9449 0.0000 0.0531 0.0623 0.0429 0.1351 0.0000
        Q-s-low E-s-low   Q-p-low E-p-low   Q-d-low E-d-low   Q-f-low E-f-low
:EPL003:  1.9866 -2.4711    5.8188 -1.0817    0.0076 -0.2889    0.0008 -0.3073
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi 
:EPH003:  0.0695  0.2388    0.1000  0.2644    0.2857  0.3342    0.0092  0.3188
:VZZ003: EFG INSIDE SPHERE   3 =    -0.778802      UP TO R =   2.50000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      67.999998

:SUM  : SUM OF EIGENVALUES =         -86.723127353