:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00022:  22    0.452261    0.510428  1.00000000
:BAN00023:  23    0.478799    0.548995  1.00000000
:BAN00024:  24    0.478799    0.548995  1.00000000
:BAN00025:  25    0.512182    0.568286  1.00000000
:BAN00026:  26    0.512182    0.568286  1.00000000
:BAN00027:  27    0.558556    0.595158  1.00000000
:BAN00028:  28    0.558556    0.595158  1.00000000
:BAN00029:  29    0.579857    0.618400  0.99813329
:BAN00030:  30    0.579857    0.618400  0.99813329
:BAN00031:  31    0.613510    0.661858  0.00186768
:BAN00032:  32    0.613510    0.661858  0.00186768
:BAN00033:  33    0.637229    0.732463  0.00000000
:BAN00034:  34    0.637229    0.732463  0.00000000
:BAN00035:  35    0.657631    0.732463  0.00000000
:BAN00036:  36    0.657631    0.732463  0.00000000
:BAN00037:  37    0.702002    0.771762  0.00000000
        Energy to separate low and high energystates:    0.20463


:NLDA  : NUMBER OF ELECTRONS          =  30.000

:FLDA  : F E R M I - ENERGY           =   1.11505




: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          =  30.000

:FER  : F E R M I - ENERGY           =   0.68139

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    13.882157
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.0342 5.4128 0.5177 5.9033 0.0000 0.0000 0.0000 0.1092 0.4263 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:  1.9614 -2.9992    5.1385 -0.9171    0.0364 -0.5438    0.0170 -0.5174
        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:  0.0728  0.4213    0.2743  0.4335    0.4814  0.4167    5.8863  0.5813

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     6.320047
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.8446 4.3992 0.0528 0.0163 0.0000 0.0000 0.0000 0.0192 0.0496 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:  1.8170 -0.5789    0.0910 -0.7104    0.0213 -0.8495    0.0074 -0.9317
        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:  0.0276  0.4616    4.3082  0.4261    0.0315  0.4792    0.0090  0.5031

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      29.570245

:SUM  : SUM OF EIGENVALUES =         -10.158085976