:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00018:  18    0.309247    0.526582  1.00000000
:BAN00019:  19    0.421084    0.534712  1.00000000
:BAN00020:  20    0.421084    0.534712  1.00000000
:BAN00021:  21    0.496189    0.559655  1.00000000
:BAN00022:  22    0.496189    0.559655  1.00000000
:BAN00023:  23    0.530530    0.593921  1.00000000
:BAN00024:  24    0.530530    0.593921  1.00000000
:BAN00025:  25    0.778381    0.827222  0.93998707
:BAN00026:  26    0.778381    0.827222  0.93998707
:BAN00027:  27    0.811361    0.846882  0.06001292
:BAN00028:  28    0.811361    0.846882  0.06001292
:BAN00029:  29    0.822789    0.846882  0.00000000
:BAN00030:  30    0.822789    0.846882  0.00000000
:BAN00031:  31    0.846482    0.909208  0.00000000
:BAN00032:  32    0.846482    0.909208  0.00000000
:BAN00033:  33    0.874829    0.926041  0.00000000
        Energy to separate low and high energystates:    0.22205


:NLDA  : NUMBER OF ELECTRONS          =  26.000

:FLDA  : F E R M I - ENERGY(TETRAH.M.)=   0.81858




: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          =  26.000

:FER  : F E R M I - ENERGY           =   0.84716

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =     9.812104
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 1.9878 5.2227 0.4930 2.0935 0.0000 0.0000 0.0000 0.1088 0.4008 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:  1.9253 -2.4131    4.8615 -0.6915    0.0345 -0.5329    0.0152 -0.5020
        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:  0.0625  0.4228    0.3611  0.4796    0.4585  0.4377    2.0782  0.7913

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     6.512588
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.8598 4.5704 0.0584 0.0171 0.0000 0.0000 0.0000 0.0194 0.0559 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:  1.8378 -0.5796    0.1315 -0.5615    0.0268 -0.7029    0.0087 -0.7836
        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:  0.0220  0.5161    4.4388  0.4645    0.0316  0.5576    0.0084  0.5880

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      26.012643

:SUM  : SUM OF EIGENVALUES =          -7.849826181