:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00026:  26    0.322724    0.353570  2.00000000
:BAN00027:  27    0.339113    0.383287  2.00000000
:BAN00028:  28    0.355008    0.417245  2.00000000
:BAN00029:  29    0.390273    0.440932  2.00000000
:BAN00030:  30    0.427887    0.482260  2.00000000
:BAN00031:  31    0.436595    0.508864  2.00000000
:BAN00032:  32    0.448797    0.527992  2.00000000
:BAN00033:  33    0.478128    0.554108  1.93651892
:BAN00034:  34    0.488125    0.554451  1.88068962
:BAN00035:  35    0.514097    0.614394  0.11906470
:BAN00036:  36    0.519415    0.643912  0.06372676
:BAN00037:  37    0.589540    0.728767  0.00000000
:BAN00038:  38    0.597803    0.739114  0.00000000
:BAN00039:  39    0.705185    0.849424  0.00000000
:BAN00040:  40    0.772511    0.899226  0.00000000
:BAN00041:  41    0.858179    0.952882  0.00000000
        Energy to separate low and high energystates:    0.14564


:NLDA  : NUMBER OF ELECTRONS          =  68.000

:FLDA  : F E R M I - ENERGY(TETRAH.M.)=   0.53175




:POS001: AT.NR.  -1 POSITION = 0.00000 0.00000 0.00000  MULTIPLICITY =  1

       LMMAX  6
       LM=   0 0  2 0  4 0  4 4  6 0  6 4




:POS002: AT.NR.  -2 POSITION = 0.00000 0.00000 0.00000  MULTIPLICITY =  2

       LMMAX  8
       LM=   0 0  2 0 -3 2  4 0  4 4 -5 2  6 0  6 4




:POS003: AT.NR.  -3 POSITION = 0.00000 0.00000 0.00000  MULTIPLICITY =  2

       LMMAX 10
       LM=   0 0  1 0  2 0  3 0  4 0  4 4  5 0  5 4  6 0  6 4


:NOE  : NUMBER OF ELECTRONS          =  68.000

:FER  : F E R M I - ENERGY           =   0.60524

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =     7.071359
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL001: 1.8858 4.9560 0.2048 0.0238 1.6599 3.2961 0.0000 0.0394 0.0463 0.0260 0.0931 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:  1.8530 -1.4514    4.7713 -0.3733    0.0054 -0.2418    0.0009 -0.2444
        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:  0.0328  0.3211    0.1847  0.3390    0.1993  0.4033    0.0229  0.4526
:VZZ001: EFG INSIDE SPHERE   1 =    -8.591539      UP TO R =   2.50000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =    13.060939
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL002: 0.3792 6.4227 6.2257 0.0264 2.1212 4.3015 0.0000 1.3034 1.2911 1.1784 2.4528 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:  0.0867 -0.2646    6.0619 -3.3089    0.0709 -0.2435    0.0062 -0.4631
        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:  0.2924  0.2719    0.3609  0.3545    6.1548  0.4541    0.0202  0.3764
:VZZ002: EFG INSIDE SPHERE   2 =     1.129459      UP TO R =   2.39000

:CHA003: TOTAL CHARGE INSIDE SPHERE   3 =    12.793332
:PCS003: PARTIAL CHARGES SPHERE =  3 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL003: 1.1851 1.576410.0190 0.0105 0.5285 1.0479 0.0000 2.0047 2.0051 2.0041 4.0052 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
:EPL003:  1.1148 -0.2256    0.0165 -0.3626    9.9607 -2.0032    0.0004 -1.5263
        Q-s-hi  E-s-hi    Q-p-hi  E-p-hi    Q-d-hi  E-d-hi    Q-f-hi  E-f-hi 
:EPH003:  0.0702  0.3470    1.5599  0.3383    0.0584  0.4386    0.0101  0.4671
:VZZ003: EFG INSIDE SPHERE   3 =    -0.987449      UP TO R =   2.12000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      68.000000

:SUM  : SUM OF EIGENVALUES =         -76.581750919