:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00030:  30    0.083867    0.136492  2.00000000
:BAN00031:  31    0.107390    0.179228  2.00000000
:BAN00032:  32    0.126245    0.179228  2.00000000
:BAN00033:  33    0.158874    0.212244  2.00000000
:BAN00034:  34    0.182617    0.247168  2.00000000
:BAN00035:  35    0.188264    0.284092  2.00000000
:BAN00036:  36    0.189482    0.287017  2.00000000
:BAN00037:  37    0.238505    0.315354  1.92244630
:BAN00038:  38    0.238505    0.315791  1.89216339
:BAN00039:  39    0.268255    0.406316  0.10468115
:BAN00040:  40    0.268451    0.429887  0.08070916
:BAN00041:  41    0.351715    0.512950  0.00000000
:BAN00042:  42    0.351715    0.516378  0.00000000
:BAN00043:  43    0.515079    0.681168  0.00000000
:BAN00044:  44    0.538901    0.751366  0.00000000
:BAN00045:  45    0.615254    0.784070  0.00000000
        Energy to separate low and high energystates:   -0.07260


:NLDA  : NUMBER OF ELECTRONS          =  76.000

:FLDA  : F E R M I - ENERGY           =   0.79267




:POS001: AT.NR.  -1 POSITION = 0.75000 0.25000 0.50000  MULTIPLICITY =  2

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




:POS002: AT.NR.  -2 POSITION = 0.75000 0.25000 0.50000  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




:POS003: AT.NR.  -3 POSITION = 0.75000 0.25000 0.50000  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          =  76.000

:FER  : F E R M I - ENERGY           =   0.38322

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    13.107768
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL001: 0.4069 6.4506 6.2154 0.0277 2.1324 4.3182 0.0000 1.3382 1.2599 1.2025 2.4149 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:  0.0886 -0.4883    6.0638 -3.5531    0.0692 -0.4766    0.0060 -0.6921
        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:  0.3183  0.0619    0.3868  0.0991    6.1462  0.2257    0.0217  0.1443
:VZZ001: EFG INSIDE SPHERE   1 =     0.273654      UP TO R =   2.42000

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =    12.848610
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL002: 1.1986 1.622010.0162 0.0096 0.5477 1.0743 0.0000 2.0039 2.0048 2.0028 4.0047 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:  1.1187 -0.4470    0.0097 -0.5976    9.9617 -2.2199    0.0002 -2.3348
        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:  0.0799  0.0894    1.6123  0.1004    0.0545  0.2121    0.0094  0.2264
:VZZ002: EFG INSIDE SPHERE   2 =    -1.739672      UP TO R =   2.14000

:CHA003: TOTAL CHARGE INSIDE SPHERE   3 =     8.254870
:PCS003: PARTIAL CHARGES SPHERE =  3 S,P,D,F,PZ,PXY,,D-Z2,D-XY,D-X2Y2,D-XZ,YZ 
:QTL003: 2.1176 6.0865 0.0428 0.0066 2.0345 4.0520 0.0000 0.0100 0.0132 0.0045 0.0151 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:  2.0056 -3.4620    5.9720 -1.4091    0.0035 -0.4587    0.0007 -0.4946
        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:  0.1120  0.0942    0.1146  0.1282    0.0394  0.1525    0.0059  0.1485
:VZZ003: EFG INSIDE SPHERE   3 =    -0.489986      UP TO R =   2.50000

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      75.999999

:SUM  : SUM OF EIGENVALUES =        -115.984362464