:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00020:  20    0.455689    0.549413  1.00000000
:BAN00021:  21    0.519636    0.586034  1.00000000
:BAN00022:  22    0.519636    0.586034  1.00000000
:BAN00023:  23    0.541008    0.613036  1.00000000
:BAN00024:  24    0.541008    0.613036  1.00000000
:BAN00025:  25    0.647101    0.686009  1.00000000
:BAN00026:  26    0.647101    0.686009  1.00000000
:BAN00027:  27    0.683056    0.716250  0.96187086
:BAN00028:  28    0.683056    0.716250  0.96187086
:BAN00029:  29    0.696639    0.722615  0.03812914
:BAN00030:  30    0.696639    0.722615  0.03812914
:BAN00031:  31    0.729778    0.783734  0.00000000
:BAN00032:  32    0.729778    0.783734  0.00000000
:BAN00033:  33    0.758357    0.832325  0.00000000
:BAN00034:  34    0.758357    0.832325  0.00000000
:BAN00035:  35    0.773032    0.832325  0.00000000
        Energy to separate low and high energystates:    0.25512


:NLDA  : NUMBER OF ELECTRONS          =  28.000

:FLDA  : F E R M I - ENERGY           =   1.20369




: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 =  2

       LMMAX  6
       LM=   0 0  4 0  4 4  6 0  6 4 -3 2


:NOE  : NUMBER OF ELECTRONS          =  28.000

:FER  : F E R M I - ENERGY           =   0.79102

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    11.943945
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.0144 5.3432 0.5293 4.0417 0.0000 0.0000 0.0000 0.1141 0.4329 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:  1.9464 -2.6947    5.0326 -0.7855    0.0367 -0.4958    0.0172 -0.4675
        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:  0.0680  0.4516    0.3105  0.5011    0.4926  0.4704    4.0245  0.6911

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     6.449445
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.8476 4.5231 0.0552 0.0166 0.0000 0.0000 0.0000 0.0192 0.0522 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:  1.8223 -0.5343    0.1045 -0.6188    0.0235 -0.7582    0.0078 -0.8426
        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:  0.0253  0.5018    4.4186  0.4922    0.0318  0.5451    0.0088  0.5809

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      27.979441

:SUM  : SUM OF EIGENVALUES =          -6.686399589