:GMA  : POTENTIAL AND CHARGE CUT-OFF  19.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00002:   2   -3.363385   -3.360636  2.00000000
:BAN00003:   3   -3.362290   -3.360636  2.00000000
:BAN00004:   4   -0.851455   -0.751739  2.00000000
:BAN00005:   5    0.015367    0.390840  2.00000000
:BAN00006:   6    0.151487    0.390840  2.00000000
:BAN00007:   7    0.198798    0.390840  2.00000000
:BAN00008:   8    0.352255    0.502776  2.00000000
:BAN00009:   9    0.432781    0.522196  2.00000000
:BAN00010:  10    0.432781    0.537040  1.81304007
:BAN00011:  11    0.467959    0.699902  0.17080980
:BAN00012:  12    0.467959    0.699902  0.01615013
:BAN00013:  13    0.659206    1.221298  0.00000000
:BAN00014:  14    1.245522    1.738370  0.00000000
:BAN00015:  15    1.302817    1.922879  0.00000000
:BAN00016:  16    1.543154    1.942676  0.00000000
:BAN00017:  17    1.724278    1.998578  0.00000000
        Energy to separate low and high energystates:   -0.03463


:NLDA  : NUMBER OF ELECTRONS          =  20.000

:FLDA  : F E R M I - ENERGY(TETRAH.M.)=   0.52999




: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           =   0.60428

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.123843
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 0.1883 6.1647 5.7377 0.0270 0.0000 0.0000 0.0000 2.0553 3.6824 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:  0.0205 -0.7972    5.9895 -3.3518    0.0267 -0.7615    0.0032 -0.7701
        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:  0.1678  0.1516    0.1752  0.1989    5.7110  0.5078    0.0238  0.2606

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     5.480596
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.6461 3.8099 0.0202 0.0035 0.0000 0.0000 0.0000 0.0093 0.0109 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:  1.5838 -0.7719    0.0017 -1.9345    0.0004 -2.9270    0.0002 -3.1502
        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:  0.0623  0.3823    3.8081  0.2172    0.0197  0.4618    0.0034  0.4957

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      20.058219

:SUM  : SUM OF EIGENVALUES =         -17.324494717