:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00002:   2   -3.392207   -3.389286  2.00000000
:BAN00003:   3   -3.391112   -3.389286  2.00000000
:BAN00004:   4   -0.960679   -0.862045  2.00000000
:BAN00005:   5   -0.079355    0.288345  2.00000000
:BAN00006:   6    0.054876    0.288345  2.00000000
:BAN00007:   7    0.108661    0.288345  2.00000000
:BAN00008:   8    0.300415    0.467914  2.00000000
:BAN00009:   9    0.391382    0.487613  2.00000000
:BAN00010:  10    0.391382    0.494217  1.79740621
:BAN00011:  11    0.433769    0.648810  0.17611530
:BAN00012:  12    0.433769    0.648810  0.02647848
:BAN00013:  13    0.564221    1.136835  0.00000000
:BAN00014:  14    1.159563    1.636481  0.00000000
:BAN00015:  15    1.213521    1.844220  0.00000000
:BAN00016:  16    1.456383    1.862450  0.00000000
:BAN00017:  17    1.639464    1.987894  0.00000000
        Energy to separate low and high energystates:   -0.12935


:NLDA  : NUMBER OF ELECTRONS          =  20.000

:FLDA  : F E R M I - ENERGY           =   0.99191




: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          =  20.000

:FER  : F E R M I - ENERGY           =   0.58850

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.511751
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 0.1958 6.1826 6.0948 0.0310 0.0000 0.0000 0.0000 2.1783 3.9165 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:  0.0217 -0.9073    5.9947 -3.3800    0.0271 -0.8720    0.0037 -0.8803
        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:  0.1741  0.1314    0.1878  0.1262    6.0677  0.4605    0.0273  0.1737

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     6.076678
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.7649 4.2551 0.0433 0.0099 0.0000 0.0000 0.0000 0.0198 0.0235 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:  1.7068 -0.8828    0.0030 -2.3453    0.0011 -3.0646    0.0005 -3.2216
        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  0.3254    4.2520  0.1217    0.0422  0.4149    0.0094  0.4464

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      20.472419

:SUM  : SUM OF EIGENVALUES =         -18.345508144