:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
       Insulator, EF-inconsistency corrected
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.569692    0.599995  2.00000000
:BAN00027:  27    0.572278    0.625325  2.00000000
:BAN00028:  28    0.573175    0.626303  2.00000000
:BAN00029:  29    0.601346    0.684028  2.00000000
:BAN00030:  30    0.614171    0.685013  2.00000000
:BAN00031:  31    0.618025    0.689854  2.00000000
:BAN00032:  32    0.654660    0.722219  2.00000000
:BAN00033:  33    0.671613    0.722219  2.00000000
:BAN00034:  34    0.672186    0.731107  2.00000000
:BAN00035:  35    0.693437    0.738165  2.00000000
:BAN00036:  36    0.693701    0.740999  2.00000000
:BAN00037:  37    0.748495    0.787378  0.00000000
:BAN00038:  38    0.753540    0.788815  0.00000000
:BAN00039:  39    0.777950    0.883862  0.00000000
:BAN00040:  40    0.778496    0.974233  0.00000000
:BAN00041:  41    0.899739    1.152142  0.00000000
        Energy to separate low and high energystates:   -0.23165


:NLDA  : NUMBER OF ELECTRONS          =  72.000

:FLDA  : F E R M I - ENERGY(TETRAH.M.)=   0.74100




: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           =   0.81425

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.992834
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL001: 0.3465 6.4442 6.1743 0.0240 2.1531 4.2911 0.0000 1.4190 2.5881 2.1672 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 -3.1462    0.0001 -3.1443    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:  0.3465  0.2248    0.4658  0.3723    6.1742  0.6287    0.0240  0.5281
:VZZ001: EFG INSIDE SPHERE   1 =     2.552586      UP TO R =   2.26000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     1.840539
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL002: 0.7501 0.9167 0.1575 0.0137 0.3399 0.5768 0.0000 0.0327 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 -3.1498    0.0005 -3.1489    0.0004 -3.1479    0.0002 -3.1472
        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:  0.7498  0.2187    0.9161  0.4313    0.1571  0.5680    0.0136  0.5996
:VZZ002: EFG INSIDE SPHERE   2 =    -3.255025      UP TO R =   2.00000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      71.999998

:SUM  : SUM OF EIGENVALUES =         -51.286720746