:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
       Insulator, EF-inconsistency corrected
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.570022    0.600239  2.00000000
:BAN00027:  27    0.572594    0.625741  2.00000000
:BAN00028:  28    0.573497    0.626726  2.00000000
:BAN00029:  29    0.601637    0.684353  2.00000000
:BAN00030:  30    0.614390    0.685325  2.00000000
:BAN00031:  31    0.618248    0.690238  2.00000000
:BAN00032:  32    0.655119    0.722634  2.00000000
:BAN00033:  33    0.672014    0.722634  2.00000000
:BAN00034:  34    0.672588    0.731469  2.00000000
:BAN00035:  35    0.693961    0.738569  2.00000000
:BAN00036:  36    0.694166    0.741474  2.00000000
:BAN00037:  37    0.749043    0.787828  0.00000000
:BAN00038:  38    0.754063    0.789263  0.00000000
:BAN00039:  39    0.778432    0.884216  0.00000000
:BAN00040:  40    0.778977    0.974508  0.00000000
:BAN00041:  41    0.900090    1.152158  0.00000000
        Energy to separate low and high energystates:   -0.23168


:NLDA  : NUMBER OF ELECTRONS          =  72.000

:FLDA  : F E R M I - ENERGY(TETRAH.M.)=   0.74147




: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           =   0.81403

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.993226
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL001: 0.3465 6.4441 6.1749 0.0240 2.1531 4.2910 0.0000 1.4159 2.5853 2.1737 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 -3.1456    0.0001 -3.1438    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  0.2251    0.4657  0.3725    6.1748  0.6293    0.0240  0.5286
:VZZ001: EFG INSIDE SPHERE   1 =     2.469692      UP TO R =   2.26000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     1.840540
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL002: 0.7502 0.9167 0.1574 0.0137 0.3400 0.5767 0.0000 0.0327 0.0523 0.0724 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 -3.1492    0.0005 -3.1483    0.0004 -3.1472    0.0002 -3.1466
        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:  0.7499  0.2186    0.9161  0.4316    0.1570  0.5683    0.0136  0.5998
:VZZ002: EFG INSIDE SPHERE   2 =    -3.267897      UP TO R =   2.00000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      72.000000

:SUM  : SUM OF EIGENVALUES =         -51.256572949