:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00018:  18    0.363394    0.561463  1.00000000
:BAN00019:  19    0.471010    0.572683  1.00000000
:BAN00020:  20    0.471010    0.572683  1.00000000
:BAN00021:  21    0.541910    0.604108  1.00000000
:BAN00022:  22    0.541910    0.604108  1.00000000
:BAN00023:  23    0.567315    0.640210  1.00000000
:BAN00024:  24    0.567315    0.640210  1.00000000
:BAN00025:  25    0.725853    0.762261  1.00000000
:BAN00026:  26    0.725853    0.762261  1.00000000
:BAN00027:  27    0.760940    0.789813  0.50000000
:BAN00028:  28    0.760940    0.789813  0.50000000
:BAN00029:  29    0.771222    0.789840  0.00000000
:BAN00030:  30    0.771222    0.789840  0.00000000
:BAN00031:  31    0.798103    0.855474  0.00000000
:BAN00032:  32    0.798103    0.855474  0.00000000
:BAN00033:  33    0.828404    0.890262  0.00000000
        Energy to separate low and high energystates:    0.67585


:NLDA  : NUMBER OF ELECTRONS          =  27.000

:FLDA  : F E R M I - ENERGY           =   1.26943




: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          =  27.000

:FER  : F E R M I - ENERGY           =   0.83141

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    10.917502
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.0010 5.2498 0.5113 3.1402 0.0000 0.0000 0.0000 0.1117 0.4169 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:  2.0003 -2.4392    5.2466 -0.5796    0.5066  0.4275    0.3115  0.4679
        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:  0.0007  0.7788    0.0032  0.7757    0.0047  0.8026    2.8286  0.7716

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     6.477820
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.8577 4.5372 0.0583 0.0174 0.0000 0.0000 0.0000 0.0195 0.0602 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:  1.8540 -0.5133    4.5064  0.4786    0.0493 -0.1161    0.0142 -0.2431
        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:  0.0037  0.7844    0.0308  0.7847    0.0090  0.7657    0.0033  0.7765

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      26.994876

:SUM  : SUM OF EIGENVALUES =          -5.006721981