:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00014:  14    0.647942    0.710730  1.00000000
:BAN00015:  15    0.656439    0.763060  1.00000000
:BAN00016:  16    0.656439    0.763060  1.00000000
:BAN00017:  17    0.746194    0.765608  1.00000000
:BAN00018:  18    0.746194    0.765608  1.00000000
:BAN00019:  19    0.758841    0.857138  0.99917326
:BAN00020:  20    0.758841    0.857138  0.99917326
:BAN00021:  21    0.772318    0.857138  0.99745209
:BAN00022:  22    0.772318    0.857138  0.99745209
:BAN00023:  23    0.849366    0.858946  0.00337466
:BAN00024:  24    0.849366    0.858946  0.00337466
:BAN00025:  25    0.860477    1.004547  0.00000000
:BAN00026:  26    0.860477    1.004547  0.00000000
:BAN00027:  27    0.863801    1.004547  0.00000000
:BAN00028:  28    0.863801    1.004547  0.00000000
:BAN00029:  29    0.886154    1.035893  0.00000000
        Energy to separate low and high energystates:    0.42114


:NLDA  : NUMBER OF ELECTRONS          =  22.000

:FLDA  : F E R M I - ENERGY           =   1.34995




: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          =  22.000

:FER  : F E R M I - ENERGY           =   0.78067

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    15.369564
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.1007 5.5302 0.6521 7.0790 0.0000 0.0000 0.0000 0.4078 0.2594 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:  2.0045 -2.7272    5.3477 -0.7037    0.0787  0.1499    0.0285  0.1817
        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:  0.0963  0.6220    0.1825  0.6657    0.5734  0.6604    7.0505  0.7959

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     4.008684
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.5249 2.3760 0.0754 0.0231 0.0000 0.0000 0.0000 0.0551 0.0367 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:  1.4717  0.1286    0.1035 -0.3843    0.0269 -0.5524    0.0088 -0.6604
        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:  0.0532  0.6594    2.2725  0.6532    0.0485  0.7522    0.0144  0.7523

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      22.000000

:SUM  : SUM OF EIGENVALUES =          -0.867695437