:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00012:  12    0.558174    0.822225  1.00000000
:BAN00013:  13    0.719580    0.839682  1.00000000
:BAN00014:  14    0.719580    0.839682  1.00000000
:BAN00015:  15    0.728359    0.897602  1.00000000
:BAN00016:  16    0.728359    0.897602  1.00000000
:BAN00017:  17    0.844616    0.915707  1.00000000
:BAN00018:  18    0.844616    0.915707  1.00000000
:BAN00019:  19    0.906997    0.999935  0.79911404
:BAN00020:  20    0.906997    0.999935  0.79911404
:BAN00021:  21    0.917733    1.003868  0.20088596
:BAN00022:  22    0.917733    1.003868  0.20088596
:BAN00023:  23    0.983247    1.003868  0.00000000
:BAN00024:  24    0.983247    1.003868  0.00000000
:BAN00025:  25    0.991925    1.067329  0.00000000
:BAN00026:  26    0.991925    1.067329  0.00000000
:BAN00027:  27    0.997708    1.092388  0.00000000
        Energy to separate low and high energystates:    0.50817


:NLDA  : NUMBER OF ELECTRONS          =  20.000

:FLDA  : F E R M I - ENERGY           =   1.42215




: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          =  20.000

:FER  : F E R M I - ENERGY           =   0.90038

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.803774
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.0766 5.4214 0.8007 4.4964 0.0000 0.0000 0.0000 0.4419 0.3804 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:  1.9883 -2.4057    5.1797 -0.4806    0.0882  0.2414    0.0325  0.2772
        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:  0.0883  0.6969    0.2417  0.7837    0.7125  0.7746    4.4639  0.9132

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     4.277188
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.5241 2.6234 0.0953 0.0251 0.0000 0.0000 0.0000 0.0663 0.0539 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:  1.4659  0.2162    0.1331 -0.2564    0.0334 -0.3876    0.0101 -0.4636
        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:  0.0582  0.7700    2.4903  0.7603    0.0619  0.8591    0.0150  0.8538

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      20.062308

:SUM  : SUM OF EIGENVALUES =           2.331416264