:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
       Insulator, EF-inconsistency corrected
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.569004    0.601137  2.00000000
:BAN00027:  27    0.570605    0.627609  2.00000000
:BAN00028:  28    0.570605    0.627609  2.00000000
:BAN00029:  29    0.601952    0.688551  2.00000000
:BAN00030:  30    0.615253    0.688551  2.00000000
:BAN00031:  31    0.618416    0.691349  2.00000000
:BAN00032:  32    0.653867    0.723216  2.00000000
:BAN00033:  33    0.672245    0.723216  2.00000000
:BAN00034:  34    0.672245    0.731752  2.00000000
:BAN00035:  35    0.694548    0.739407  2.00000000
:BAN00036:  36    0.694548    0.742347  2.00000000
:BAN00037:  37    0.749853    0.790510  0.00000000
:BAN00038:  38    0.753697    0.790510  0.00000000
:BAN00039:  39    0.774768    0.889399  0.00000000
:BAN00040:  40    0.774768    0.975205  0.00000000
:BAN00041:  41    0.900772    1.176789  0.00000000
        Energy to separate low and high energystates:   -0.23162


:NLDA  : NUMBER OF ELECTRONS          =  72.000

:FLDA  : F E R M I - ENERGY(TETRAH.M.)=   0.74235




: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           =   0.81427

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.993575
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL001: 0.3467 6.4440 6.1751 0.0240 2.1533 4.2907 0.0000 1.4045 2.5723 2.1983 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 -3.1447    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:  0.3466  0.2266    0.4656  0.3729    6.1750  0.6307    0.0240  0.5305
:VZZ001: EFG INSIDE SPHERE   1 =     2.070351      UP TO R =   2.26000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     1.840982
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY, D-Z2,D-XY,X2Y2,D-XZ,YZ 
:QTL002: 0.7506 0.9171 0.1570 0.0137 0.3406 0.5765 0.0000 0.0326 0.0523 0.0721 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 -3.1481    0.0005 -3.1472    0.0004 -3.1462    0.0002 -3.1455
        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:  0.7503  0.2186    0.9166  0.4322    0.1566  0.5687    0.0135  0.6001
:VZZ002: EFG INSIDE SPHERE   2 =    -3.308987      UP TO R =   2.00000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      72.000000

:SUM  : SUM OF EIGENVALUES =         -51.197270181