:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00020:  20    0.418344    0.502502  1.00000000
:BAN00021:  21    0.467840    0.525579  1.00000000
:BAN00022:  22    0.467840    0.525579  1.00000000
:BAN00023:  23    0.496435    0.571950  1.00000000
:BAN00024:  24    0.496435    0.571950  1.00000000
:BAN00025:  25    0.527604    0.584565  1.00000000
:BAN00026:  26    0.527604    0.584565  1.00000000
:BAN00027:  27    0.580973    0.607969  1.00000000
:BAN00028:  28    0.580973    0.607969  1.00000000
:BAN00029:  29    0.592289    0.625480  0.50000000
:BAN00030:  30    0.592289    0.625480  0.50000000
:BAN00031:  31    0.620419    0.675856  0.00000000
:BAN00032:  32    0.620419    0.675856  0.00000000
:BAN00033:  33    0.647795    0.758921  0.00000000
:BAN00034:  34    0.647795    0.758921  0.00000000
:BAN00035:  35    0.673686    0.758921  0.00000000
        Energy to separate low and high energystates:    0.22861


:NLDA  : NUMBER OF ELECTRONS          =  29.000

:FLDA  : F E R M I - ENERGY           =   1.11235




: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          =  29.000

:FER  : F E R M I - ENERGY           =   0.71711

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    13.023503
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.0292 5.3627 0.5587 5.0575 0.0000 0.0000 0.0000 0.1216 0.4565 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:  1.9566 -2.8902    5.0673 -0.8052    0.0387 -0.5053    0.0188 -0.4772
        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:  0.0727  0.4483    0.2954  0.4525    0.5200  0.4403    5.0387  0.5991

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     6.403830
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.8411 4.4843 0.0548 0.0165 0.0000 0.0000 0.0000 0.0195 0.0572 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:  1.8131 -0.5413    0.0975 -0.6738    0.0228 -0.7743    0.0076 -0.8468
        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:  0.0279  0.4817    4.3868  0.4476    0.0321  0.4919    0.0089  0.5153

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      28.999976

:SUM  : SUM OF EIGENVALUES =          -8.046754578