:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00010:  10    0.138589    0.419789  1.00000000
:BAN00011:  11    0.563146    0.817965  1.00000000
:BAN00012:  12    0.563146    0.817965  1.00000000
:BAN00013:  13    0.718134    0.842351  1.00000000
:BAN00014:  14    0.718134    0.842351  1.00000000
:BAN00015:  15    0.727121    0.909858  1.00000000
:BAN00016:  16    0.727121    0.909858  1.00000000
:BAN00017:  17    0.842476    0.943575  0.98898949
:BAN00018:  18    0.842476    0.943575  0.98898949
:BAN00019:  19    0.932025    1.027773  0.51101051
:BAN00020:  20    0.932025    1.027773  0.51101051
:BAN00021:  21    0.946715    1.033441  0.00000000
:BAN00022:  22    0.946715    1.033441  0.00000000
:BAN00023:  23    1.005526    1.033441  0.00000000
:BAN00024:  24    1.005526    1.033441  0.00000000
:BAN00025:  25    1.014280    1.062677  0.00000000
        Energy to separate low and high energystates:    0.51315


:NLDA  : NUMBER OF ELECTRONS          =  19.000

:FLDA  : F E R M I - ENERGY           =   1.44253




: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          =  19.000

:FER  : F E R M I - ENERGY           =   0.93146

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    11.703747
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.0706 5.4250 0.8710 3.3282 0.0000 0.0000 0.0000 0.4550 0.4410 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:  1.9829 -2.2936    5.1507 -0.4540    0.0908  0.2476    0.0328  0.2839
        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:  0.0877  0.7207    0.2743  0.7916    0.7801  0.7834    3.2953  0.9304

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     4.374375
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.5295 2.7084 0.1014 0.0258 0.0000 0.0000 0.0000 0.0672 0.0601 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:  1.4713  0.2226    0.1381 -0.2463    0.0352 -0.3742    0.0107 -0.4517
        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:  0.0581  0.7749    2.5703  0.7702    0.0661  0.8623    0.0151  0.8562

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      19.155124

:SUM  : SUM OF EIGENVALUES =           1.595347751