:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
       Insulator, EF-inconsistency corrected
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.563968    0.595257  2.00000000
:BAN00027:  27    0.566662    0.618831  2.00000000
:BAN00028:  28    0.567509    0.619853  2.00000000
:BAN00029:  29    0.596318    0.677084  2.00000000
:BAN00030:  30    0.610549    0.678072  2.00000000
:BAN00031:  31    0.613552    0.682687  2.00000000
:BAN00032:  32    0.647722    0.715278  2.00000000
:BAN00033:  33    0.665158    0.715278  2.00000000
:BAN00034:  34    0.665699    0.723254  2.00000000
:BAN00035:  35    0.685850    0.730836  2.00000000
:BAN00036:  36    0.686327    0.733740  2.00000000
:BAN00037:  37    0.740370    0.780936  0.00000000
:BAN00038:  38    0.745766    0.782456  0.00000000
:BAN00039:  39    0.770335    0.878920  0.00000000
:BAN00040:  40    0.770899    0.971433  0.00000000
:BAN00041:  41    0.894146    1.152783  0.00000000
        Energy to separate low and high energystates:   -0.23066


:NLDA  : NUMBER OF ELECTRONS          =  72.000

:FLDA  : F E R M I - ENERGY(TETRAH.M.)=   0.73374




: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           =   0.82071

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.976065
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL001: 0.3492 6.4489 6.1499 0.0242 2.1547 4.2943 0.0000 1.4223 2.5839 2.1438 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    5.9786 -3.1559    0.0001 -3.1540    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:  0.3492  0.2245    0.4704  0.3707    6.1499  0.6229    0.0242  0.5242
:VZZ001: EFG INSIDE SPHERE   1 =     2.635710      UP TO R =   2.26000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     1.846588
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL002: 0.7507 0.9211 0.1586 0.0137 0.3409 0.5802 0.0000 0.0330 0.0527 0.0729 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 -3.1596    0.0005 -3.1587    0.0004 -3.1577    0.0002 -3.1570
        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:  0.7504  0.2202    0.9206  0.4293    0.1582  0.5633    0.0135  0.5947
:VZZ002: EFG INSIDE SPHERE   2 =    -3.213183      UP TO R =   2.00000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      72.000000

:SUM  : SUM OF EIGENVALUES =         -51.698144170