:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.303241    0.344868  2.00000000
:BAN00027:  27    0.318555    0.361717  2.00000000
:BAN00028:  28    0.334858    0.394068  2.00000000
:BAN00029:  29    0.367703    0.419936  2.00000000
:BAN00030:  30    0.402353    0.457229  2.00000000
:BAN00031:  31    0.411679    0.496924  2.00000000
:BAN00032:  32    0.425723    0.502749  2.00000000
:BAN00033:  33    0.449558    0.531319  1.94074149
:BAN00034:  34    0.462130    0.532068  1.86450281
:BAN00035:  35    0.479029    0.605939  0.12704631
:BAN00036:  36    0.485963    0.632932  0.06770939
:BAN00037:  37    0.561074    0.719103  0.00000000
:BAN00038:  38    0.568416    0.725703  0.00000000
:BAN00039:  39    0.688497    0.842932  0.00000000
:BAN00040:  40    0.754833    0.907330  0.00000000
:BAN00041:  41    0.839301    0.960781  0.00000000
        Energy to separate low and high energystates:    0.12957


:NLDA  : NUMBER OF ELECTRONS          =  68.000

:FLDA  : F E R M I - ENERGY           =   1.00815




:POS001: AT.NR.  -1 POSITION = 0.00000 0.00000 0.00000  MULTIPLICITY =  1

       LMMAX  6
       LM=   0 0  2 0  4 0  4 4  6 0  6 4




:POS002: AT.NR.  -2 POSITION = 0.00000 0.00000 0.00000  MULTIPLICITY =  2

       LMMAX  8
       LM=   0 0  2 0 -3 2  4 0  4 4 -5 2  6 0  6 4




:POS003: AT.NR.  -3 POSITION = 0.00000 0.00000 0.00000  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


:NOE  : NUMBER OF ELECTRONS          =  68.000

:FER  : F E R M I - ENERGY           =   0.60076

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =     7.072237
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL001: 1.8866 4.9557 0.2042 0.0248 1.6594 3.2963 0.0000 0.0389 0.0460 0.0257 0.0936 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:  1.8528 -1.4529    4.7683 -0.3751    0.0053 -0.2482    0.0009 -0.2488
        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:  0.0338  0.3056    0.1874  0.3109    0.1989  0.3778    0.0239  0.4475
:VZZ001: EFG INSIDE SPHERE   1 =    -8.220831      UP TO R =   2.50000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =    13.035457
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL002: 0.3929 6.4330 6.1757 0.0268 2.1247 4.3084 0.0000 1.2782 1.2626 1.1815 2.4535 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:  0.0893 -0.2718    6.0636 -3.3411    0.0763 -0.2543    0.0063 -0.4707
        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:  0.3037  0.2816    0.3694  0.3150    6.0994  0.4392    0.0205  0.3561
:VZZ002: EFG INSIDE SPHERE   2 =     1.085080      UP TO R =   2.39000

:CHA003: TOTAL CHARGE INSIDE SPHERE   3 =    12.803594
:PCS003: PARTIAL CHARGES SPHERE =  3 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL003: 1.1840 1.590410.0168 0.0102 0.5304 1.0600 0.0000 2.0041 2.0046 2.0036 4.0045 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:  1.1058 -0.2322    0.0177 -0.3574    9.9596 -2.0027    0.0004 -1.5168
        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:  0.0782  0.3126    1.5727  0.3160    0.0572  0.4208    0.0098  0.4401
:VZZ003: EFG INSIDE SPHERE   3 =    -0.312154      UP TO R =   2.12000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      67.999993

:SUM  : SUM OF EIGENVALUES =         -77.430705712