:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
       Insulator, EF-inconsistency corrected
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.568943    0.601024  2.00000000
:BAN00027:  27    0.570516    0.627788  2.00000000
:BAN00028:  28    0.570516    0.627788  2.00000000
:BAN00029:  29    0.601891    0.688075  2.00000000
:BAN00030:  30    0.615267    0.688075  2.00000000
:BAN00031:  31    0.618210    0.691271  2.00000000
:BAN00032:  32    0.654044    0.723243  2.00000000
:BAN00033:  33    0.672363    0.723243  2.00000000
:BAN00034:  34    0.672363    0.731246  2.00000000
:BAN00035:  35    0.694974    0.739306  2.00000000
:BAN00036:  36    0.694974    0.742528  2.00000000
:BAN00037:  37    0.750132    0.790812  0.00000000
:BAN00038:  38    0.753998    0.790812  0.00000000
:BAN00039:  39    0.774914    0.889573  0.00000000
:BAN00040:  40    0.774914    0.975682  0.00000000
:BAN00041:  41    0.900819    1.177026  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.)=   0.74253




: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           =   0.81518

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.993085
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL001: 0.3470 6.4443 6.1739 0.0241 2.1537 4.2906 0.0000 1.3948 2.5595 2.2196 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 -3.1446    0.0001 -3.1430    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:  0.3470  0.2282    0.4659  0.3732    6.1738  0.6314    0.0240  0.5319
:VZZ001: EFG INSIDE SPHERE   1 =     1.678696      UP TO R =   2.26000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     1.841675
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL002: 0.7510 0.9178 0.1566 0.0137 0.3411 0.5766 0.0000 0.0324 0.0523 0.0719 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 -3.1477    0.0005 -3.1469    0.0004 -3.1459    0.0002 -3.1452
        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:  0.7507  0.2187    0.9172  0.4329    0.1563  0.5688    0.0135  0.6001
:VZZ002: EFG INSIDE SPHERE   2 =    -3.342765      UP TO R =   2.00000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      72.000000

:SUM  : SUM OF EIGENVALUES =         -51.172221956