:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
       Insulator, EF-inconsistency corrected
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.570281    0.600388  2.00000000
:BAN00027:  27    0.572831    0.626139  2.00000000
:BAN00028:  28    0.573745    0.627140  2.00000000
:BAN00029:  29    0.601860    0.684474  2.00000000
:BAN00030:  30    0.614577    0.685416  2.00000000
:BAN00031:  31    0.618360    0.690472  2.00000000
:BAN00032:  32    0.655574    0.722985  2.00000000
:BAN00033:  33    0.672377    0.722985  2.00000000
:BAN00034:  34    0.672947    0.731593  2.00000000
:BAN00035:  35    0.694521    0.738851  2.00000000
:BAN00036:  36    0.694613    0.741932  2.00000000
:BAN00037:  37    0.749585    0.788298  0.00000000
:BAN00038:  38    0.754599    0.789737  0.00000000
:BAN00039:  39    0.778869    0.884593  0.00000000
:BAN00040:  40    0.779415    0.974893  0.00000000
:BAN00041:  41    0.900398    1.152245  0.00000000
        Energy to separate low and high energystates:   -0.23166


:NLDA  : NUMBER OF ELECTRONS          =  72.000

:FLDA  : F E R M I - ENERGY(TETRAH.M.)=   0.74193




: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           =   0.81408

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.993418
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL001: 0.3466 6.4440 6.1750 0.0240 2.1532 4.2908 0.0000 1.4100 2.5782 2.1869 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 -3.1451    0.0001 -3.1433    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  0.2258    0.4656  0.3727    6.1750  0.6301    0.0240  0.5297
:VZZ001: EFG INSIDE SPHERE   1 =     2.249721      UP TO R =   2.26000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     1.840790
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL002: 0.7504 0.9169 0.1572 0.0137 0.3403 0.5766 0.0000 0.0326 0.0523 0.0723 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 -3.1485    0.0005 -3.1477    0.0004 -3.1466    0.0002 -3.1460
        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:  0.7501  0.2187    0.9164  0.4319    0.1568  0.5685    0.0136  0.6000
:VZZ002: EFG INSIDE SPHERE   2 =    -3.290547      UP TO R =   2.00000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      72.000000

:SUM  : SUM OF EIGENVALUES =         -51.222616108