:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00018:  18    0.309120    0.526397  1.00000000
:BAN00019:  19    0.420970    0.534729  1.00000000
:BAN00020:  20    0.420970    0.534729  1.00000000
:BAN00021:  21    0.496039    0.559599  1.00000000
:BAN00022:  22    0.496039    0.559599  1.00000000
:BAN00023:  23    0.530356    0.593903  1.00000000
:BAN00024:  24    0.530356    0.593903  1.00000000
:BAN00025:  25    0.777370    0.826161  0.94008080
:BAN00026:  26    0.777370    0.826161  0.94008080
:BAN00027:  27    0.810378    0.845887  0.05991920
:BAN00028:  28    0.810378    0.845887  0.05991920
:BAN00029:  29    0.821822    0.845887  0.00000000
:BAN00030:  30    0.821822    0.845887  0.00000000
:BAN00031:  31    0.845526    0.908178  0.00000000
:BAN00032:  32    0.845526    0.908178  0.00000000
:BAN00033:  33    0.873862    0.925227  0.00000000
        Energy to separate low and high energystates:    0.72737


:NLDA  : NUMBER OF ELECTRONS          =  26.000

:FLDA  : F E R M I - ENERGY           =   1.31758




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

       LMMAX  5
       LM=   0 0  4 0  4 4  6 0  6 4




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

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


:NOE  : NUMBER OF ELECTRONS          =  26.000

:FER  : F E R M I - ENERGY           =   0.84716

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =     9.821913
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 1.9879 5.2231 0.4939 2.1019 0.0000 0.0000 0.0000 0.1091 0.4014 0.0000 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:  1.9872 -2.3259    5.2208 -0.6120    0.4891  0.3645    0.2920  0.4183
        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:  0.0007  0.8435    0.0023  0.8422    0.0048  0.8867    1.8099  0.8397

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     6.511931
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.8597 4.5697 0.0585 0.0171 0.0000 0.0000 0.0000 0.0195 0.0559 0.0000 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:  1.8568 -0.5687    4.5489  0.4330    0.0501 -0.1642    0.0144 -0.2883
        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:  0.0028  0.8568    0.0209  0.8546    0.0084  0.8334    0.0027  0.8447

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      26.023502

:SUM  : SUM OF EIGENVALUES =          -7.851853475