:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
       Insulator, EF-inconsistency corrected
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.568711    0.599245  2.00000000
:BAN00027:  27    0.571327    0.624133  2.00000000
:BAN00028:  28    0.572210    0.625100  2.00000000
:BAN00029:  29    0.600491    0.682969  2.00000000
:BAN00030:  30    0.613546    0.683980  2.00000000
:BAN00031:  31    0.617336    0.688659  2.00000000
:BAN00032:  32    0.653365    0.720992  2.00000000
:BAN00033:  33    0.670457    0.720992  2.00000000
:BAN00034:  34    0.671028    0.729917  2.00000000
:BAN00035:  35    0.691976    0.736933  2.00000000
:BAN00036:  36    0.692375    0.739636  2.00000000
:BAN00037:  37    0.746957    0.786134  0.00000000
:BAN00038:  38    0.752081    0.787579  0.00000000
:BAN00039:  39    0.776571    0.882903  0.00000000
:BAN00040:  40    0.777120    0.973568  0.00000000
:BAN00041:  41    0.898735    1.152186  0.00000000
        Energy to separate low and high energystates:   -0.23151


:NLDA  : NUMBER OF ELECTRONS          =  72.000

:FLDA  : F E R M I - ENERGY(TETRAH.M.)=   0.73964




: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           =   0.81595

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.989737
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL001: 0.3468 6.4449 6.1702 0.0240 2.1533 4.2916 0.0000 1.4237 2.5929 2.1537 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 -3.1480    0.0001 -3.1460    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:  0.3468  0.2241    0.4664  0.3719    6.1702  0.6273    0.0240  0.5268
:VZZ001: EFG INSIDE SPHERE   1 =     2.726743      UP TO R =   2.26000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     1.840860
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL002: 0.7499 0.9170 0.1577 0.0137 0.3397 0.5773 0.0000 0.0328 0.0523 0.0726 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 -3.1516    0.0005 -3.1508    0.0004 -3.1497    0.0002 -3.1491
        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:  0.7496  0.2190    0.9165  0.4307    0.1573  0.5671    0.0136  0.5990
:VZZ002: EFG INSIDE SPHERE   2 =    -3.230205      UP TO R =   2.00000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      71.994496

:SUM  : SUM OF EIGENVALUES =         -51.373186908