:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00014:  14    0.428575    0.532062  1.00000000
:BAN00015:  15    0.434265    0.592087  1.00000000
:BAN00016:  16    0.434265    0.592087  1.00000000
:BAN00017:  17    0.614032    0.634361  1.00000000
:BAN00018:  18    0.614032    0.634361  1.00000000
:BAN00019:  19    0.635584    0.715701  1.00000000
:BAN00020:  20    0.635584    0.715701  1.00000000
:BAN00021:  21    0.641738    0.715701  1.00000000
:BAN00022:  22    0.641738    0.715701  1.00000000
:BAN00023:  23    0.712182    0.732657  0.50000000
:BAN00024:  24    0.712182    0.732657  0.50000000
:BAN00025:  25    0.732818    0.806836  0.00000000
:BAN00026:  26    0.732818    0.806836  0.00000000
:BAN00027:  27    0.737708    0.830761  0.00000000
:BAN00028:  28    0.737708    0.830761  0.00000000
:BAN00029:  29    0.757160    0.830761  0.00000000
        Energy to separate low and high energystates:    0.23446


:NLDA  : NUMBER OF ELECTRONS          =  23.000

:FLDA  : F E R M I - ENERGY           =   1.22272




: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 =  1

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


:NOE  : NUMBER OF ELECTRONS          =  23.000

:FER  : F E R M I - ENERGY           =   0.59478

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    16.620454
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.2654 6.1092 0.9510 7.2419 0.0000 0.0000 0.0000 0.6026 0.3774 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:  2.0402 -2.8567    5.7853 -0.8445    0.0918 -0.2961    0.0376 -0.2774
        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:  0.2252  0.4248    0.3240  0.4693    0.8592  0.4611    7.2043  0.6775

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     4.266561
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.4684 2.7789 0.0157 0.0029 0.0000 0.0000 0.0000 0.0110 0.0075 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:  1.4395 -0.2869    0.0407 -0.5818    0.0047 -0.6792    0.0010 -0.7891
        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:  0.0289  0.4901    2.7382  0.4578    0.0110  0.6125    0.0019  0.6186

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      23.000000

:SUM  : SUM OF EIGENVALUES =          -7.637035883