:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
       Insulator, EF-inconsistency corrected
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.569184    0.599602  2.00000000
:BAN00027:  27    0.571785    0.624710  2.00000000
:BAN00028:  28    0.572675    0.625683  2.00000000
:BAN00029:  29    0.600897    0.683475  2.00000000
:BAN00030:  30    0.613841    0.684473  2.00000000
:BAN00031:  31    0.617660    0.689237  2.00000000
:BAN00032:  32    0.653992    0.721587  2.00000000
:BAN00033:  33    0.671013    0.721587  2.00000000
:BAN00034:  34    0.671586    0.730487  2.00000000
:BAN00035:  35    0.692687    0.737528  2.00000000
:BAN00036:  36    0.693015    0.740299  2.00000000
:BAN00037:  37    0.747701    0.786734  0.00000000
:BAN00038:  38    0.752785    0.788176  0.00000000
:BAN00039:  39    0.777235    0.883361  0.00000000
:BAN00040:  40    0.777783    0.973884  0.00000000
:BAN00041:  41    0.899216    1.152153  0.00000000
        Energy to separate low and high energystates:   -0.23159


:NLDA  : NUMBER OF ELECTRONS          =  72.000

:FLDA  : F E R M I - ENERGY(TETRAH.M.)=   0.74030




: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           =   0.81480

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.991770
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL001: 0.3467 6.4445 6.1727 0.0240 2.1532 4.2914 0.0000 1.4216 2.5904 2.1608 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 -3.1471    0.0001 -3.1452    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    0.4661  0.3721    6.1727  0.6280    0.0240  0.5274
:VZZ001: EFG INSIDE SPHERE   1 =     2.632456      UP TO R =   2.26000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     1.840741
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL002: 0.7500 0.9168 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 -3.1507    0.0005 -3.1499    0.0004 -3.1488    0.0002 -3.1482
        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 =    -3.242092      UP TO R =   2.00000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      72.000000

:SUM  : SUM OF EIGENVALUES =         -51.330457570