:GMA  : POTENTIAL AND CHARGE CUT-OFF  14.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00010:  10    0.228509    0.526564  1.00000000
:BAN00011:  11    0.651341    0.906455  1.00000000
:BAN00012:  12    0.651341    0.906455  1.00000000
:BAN00013:  13    0.792361    0.957223  1.00000000
:BAN00014:  14    0.792361    0.957223  1.00000000
:BAN00015:  15    0.801036    1.041446  1.00000000
:BAN00016:  16    0.801036    1.041446  1.00000000
:BAN00017:  17    0.956392    1.109755  0.95905072
:BAN00018:  18    0.956392    1.109755  0.95905072
:BAN00019:  19    1.074863    1.145560  0.04094928
:BAN00020:  20    1.074863    1.145560  0.04094928
:BAN00021:  21    1.116422    1.145560  0.00000000
:BAN00022:  22    1.116422    1.145560  0.00000000
:BAN00023:  23    1.174388    1.202605  0.00000000
:BAN00024:  24    1.174388    1.202605  0.00000000
:BAN00025:  25    1.189768    1.223834  0.00000000
        Energy to separate low and high energystates:    0.60134


:NLDA  : NUMBER OF ELECTRONS          =  18.000

:FLDA  : F E R M I - ENERGY           =   1.59469




: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          =  18.000

:FER  : F E R M I - ENERGY           =   1.00350

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    10.519159
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.0476 5.2628 0.7773 2.4220 0.0000 0.0000 0.0000 0.4054 0.3921 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:  1.9656 -2.0341    4.9924 -0.2961    0.0952  0.3281    0.0329  0.3661
        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:  0.0820  0.7839    0.2704  0.8893    0.6821  0.8794    2.3891  1.0521

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     4.349215
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.5310 2.6768 0.1069 0.0254 0.0000 0.0000 0.0000 0.0663 0.0694 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:  1.4741  0.2969    0.1763 -0.1086    0.0413 -0.2329    0.0118 -0.3187
        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:  0.0568  0.8745    2.5005  0.8635    0.0656  0.9838    0.0136  0.9714

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      18.000000

:SUM  : SUM OF EIGENVALUES =           4.428430070