:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00004:   4   -0.769618   -0.714667  1.00000000
:BAN00005:   5   -0.604655   -0.520012  1.00000000
:BAN00006:   6   -0.604655   -0.520012  1.00000000
:BAN00007:   7   -0.576431   -0.520012  1.00000000
:BAN00008:   8   -0.576431   -0.520012  1.00000000
:BAN00009:   9    0.388606    0.600929  1.00000000
:BAN00010:  10    0.388606    0.600929  1.00000000
:BAN00011:  11    0.529126    0.671033  0.94292481
:BAN00012:  12    0.529126    0.671033  0.94292481
:BAN00013:  13    0.646238    0.686975  0.05707519
:BAN00014:  14    0.646238    0.686975  0.05707519
:BAN00015:  15    0.675355    0.689482  0.00000000
:BAN00016:  16    0.675355    0.689482  0.00000000
:BAN00017:  17    0.687073    0.706655  0.00000000
:BAN00018:  18    0.687073    0.706655  0.00000000
:BAN00019:  19    0.696837    0.733929  0.00000000
        Energy to separate low and high energystates:    0.33861


:NLDA  : NUMBER OF ELECTRONS          =  12.000

:FLDA  : F E R M I - ENERGY           =   1.15414




: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


:NOE  : NUMBER OF ELECTRONS          =  12.000

:FER  : F E R M I - ENERGY           =   0.64062

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =     8.999641
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.0103 5.2725 0.7286 0.9876 0.0000 0.0000 0.0000 0.2722 0.4879 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:  1.9121 -1.8891    5.1913 -0.6327    0.0021 -0.6375    0.0006 -0.6211
        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:  0.0982  0.5281    0.0812  0.5674    0.7265  0.5715    0.9871  0.6714

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      12.000019

:SUM  : SUM OF EIGENVALUES =         -10.390844424