:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
       Insulator, EF-inconsistency corrected
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.568602    0.599153  2.00000000
:BAN00027:  27    0.571219    0.624011  2.00000000
:BAN00028:  28    0.572101    0.624978  2.00000000
:BAN00029:  29    0.600403    0.682853  2.00000000
:BAN00030:  30    0.613479    0.683866  2.00000000
:BAN00031:  31    0.617258    0.688533  2.00000000
:BAN00032:  32    0.653240    0.720864  2.00000000
:BAN00033:  33    0.670339    0.720864  2.00000000
:BAN00034:  34    0.670911    0.729788  2.00000000
:BAN00035:  35    0.691832    0.736804  2.00000000
:BAN00036:  36    0.692241    0.739500  2.00000000
:BAN00037:  37    0.746818    0.786019  0.00000000
:BAN00038:  38    0.751951    0.787465  0.00000000
:BAN00039:  39    0.776442    0.882823  0.00000000
:BAN00040:  40    0.776991    0.973529  0.00000000
:BAN00041:  41    0.898647    1.152208  0.00000000
        Energy to separate low and high energystates:   -0.23149


:NLDA  : NUMBER OF ELECTRONS          =  72.000

:FLDA  : F E R M I - ENERGY(TETRAH.M.)=   0.73950




: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           =   0.81652

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.990310
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL001: 0.3469 6.4451 6.1705 0.0240 2.1534 4.2917 0.0000 1.4227 2.5924 2.1554 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 -3.1481    0.0001 -3.1462    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:  0.3469  0.2243    0.4666  0.3713    6.1704  0.6275    0.0240  0.5267
:VZZ001: EFG INSIDE SPHERE   1 =     2.710480      UP TO R =   2.26000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     1.841228
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL002: 0.7500 0.9172 0.1578 0.0137 0.3398 0.5774 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 -3.1518    0.0005 -3.1509    0.0004 -3.1499    0.0002 -3.1492
        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  0.2192    0.9167  0.4305    0.1574  0.5668    0.0136  0.5989
:VZZ002: EFG INSIDE SPHERE   2 =    -3.230370      UP TO R =   2.00000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      72.000000

:SUM  : SUM OF EIGENVALUES =         -51.372984763