:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
       Insulator, EF-inconsistency corrected
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.568945    0.599417  2.00000000
:BAN00027:  27    0.571554    0.624423  2.00000000
:BAN00028:  28    0.572440    0.625394  2.00000000
:BAN00029:  29    0.600686    0.683212  2.00000000
:BAN00030:  30    0.613686    0.684215  2.00000000
:BAN00031:  31    0.617486    0.688946  2.00000000
:BAN00032:  32    0.653681    0.721292  2.00000000
:BAN00033:  33    0.670734    0.721292  2.00000000
:BAN00034:  34    0.671306    0.730191  2.00000000
:BAN00035:  35    0.692340    0.737228  2.00000000
:BAN00036:  36    0.692697    0.739972  2.00000000
:BAN00037:  37    0.747332    0.786436  0.00000000
:BAN00038:  38    0.752435    0.787879  0.00000000
:BAN00039:  39    0.776902    0.883127  0.00000000
:BAN00040:  40    0.777450    0.973723  0.00000000
:BAN00041:  41    0.898970    1.152157  0.00000000
        Energy to separate low and high energystates:   -0.23156


:NLDA  : NUMBER OF ELECTRONS          =  72.000

:FLDA  : F E R M I - ENERGY(TETRAH.M.)=   0.73997




: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           =   0.81517

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.991490
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL001: 0.3468 6.4447 6.1723 0.0240 2.1532 4.2915 0.0000 1.4229 2.5921 2.1573 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 -3.1475    0.0001 -3.1456    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  0.2242    0.4662  0.3720    6.1722  0.6276    0.0240  0.5271
:VZZ001: EFG INSIDE SPHERE   1 =     2.688587      UP TO R =   2.26000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     1.840773
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL002: 0.7499 0.9169 0.1577 0.0137 0.3397 0.5772 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 -3.1512    0.0005 -3.1503    0.0004 -3.1493    0.0002 -3.1486
        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  0.2189    0.9164  0.4309    0.1573  0.5673    0.0136  0.5992
:VZZ002: EFG INSIDE SPHERE   2 =    -3.235918      UP TO R =   2.00000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      72.000000

:SUM  : SUM OF EIGENVALUES =         -51.350352734