:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
       Insulator, EF-inconsistency corrected
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.569100    0.599535  2.00000000
:BAN00027:  27    0.571703    0.624613  2.00000000
:BAN00028:  28    0.572592    0.625585  2.00000000
:BAN00029:  29    0.600824    0.683378  2.00000000
:BAN00030:  30    0.613788    0.684377  2.00000000
:BAN00031:  31    0.617597    0.689133  2.00000000
:BAN00032:  32    0.653887    0.721483  2.00000000
:BAN00033:  33    0.670916    0.721483  2.00000000
:BAN00034:  34    0.671488    0.730377  2.00000000
:BAN00035:  35    0.692570    0.737421  2.00000000
:BAN00036:  36    0.692905    0.740188  2.00000000
:BAN00037:  37    0.747577    0.786635  0.00000000
:BAN00038:  38    0.752668    0.788077  0.00000000
:BAN00039:  39    0.777121    0.883284  0.00000000
:BAN00040:  40    0.777669    0.973835  0.00000000
:BAN00041:  41    0.899131    1.152159  0.00000000
        Energy to separate low and high energystates:   -0.23158


:NLDA  : NUMBER OF ELECTRONS          =  72.000

:FLDA  : F E R M I - ENERGY(TETRAH.M.)=   0.74019




:POS001: AT.NR.  -1 POSITION = 0.13580 0.13580 0.13580  MULTIPLICITY =  4

       LMMAX 17
       LM=   0 0  1 0  2 0  3 0  3 3 -3 3  4 0  4 3 -4 3  5 0  5 3 -5 3  6 0  6 3 -6 3  6 6 -6 6





:POS002: AT.NR.  -2 POSITION = 0.13580 0.13580 0.13580  MULTIPLICITY =  4

       LMMAX 17
       LM=   0 0  1 0  2 0  3 0  3 3 -3 3  4 0  4 3 -4 3  5 0  5 3 -5 3  6 0  6 3 -6 3  6 6 -6 6



:NOE  : NUMBER OF ELECTRONS          =  72.000

:FER  : F E R M I - ENERGY           =   0.81479

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.991754
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL001: 0.3467 6.4446 6.1727 0.0240 2.1532 4.2914 0.0000 1.4218 2.5908 2.1601 0.0000 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:  0.0000 10.0000    5.9784 -3.1473    0.0001 -3.1453    0.0000 10.0000
        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:  0.3467  0.2245    0.4662  0.3721    6.1726  0.6279    0.0240  0.5274
:VZZ001: EFG INSIDE SPHERE   1 =     2.647141      UP TO R =   2.26000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     1.840755
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL002: 0.7500 0.9169 0.1576 0.0137 0.3398 0.5771 0.0000 0.0328 0.0523 0.0725 0.0000 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:  0.0003 -3.1509    0.0005 -3.1500    0.0004 -3.1490    0.0002 -3.1483
        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:  0.7497  0.2187    0.9163  0.4310    0.1572  0.5675    0.0136  0.5993
:VZZ002: EFG INSIDE SPHERE   2 =    -3.242315      UP TO R =   2.00000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      72.000000

:SUM  : SUM OF EIGENVALUES =         -51.336359497