:GMA  : POTENTIAL AND CHARGE CUT-OFF  19.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00002:   2   -3.368390   -3.365660  2.00000000
:BAN00003:   3   -3.367303   -3.365660  2.00000000
:BAN00004:   4   -0.848507   -0.748878  2.00000000
:BAN00005:   5    0.017717    0.393663  2.00000000
:BAN00006:   6    0.153926    0.393663  2.00000000
:BAN00007:   7    0.200442    0.393663  2.00000000
:BAN00008:   8    0.350304    0.499108  2.00000000
:BAN00009:   9    0.429794    0.518506  2.00000000
:BAN00010:  10    0.429794    0.534141  1.81287802
:BAN00011:  11    0.464488    0.698057  0.17155932
:BAN00012:  12    0.464488    0.698057  0.01556267
:BAN00013:  13    0.661739    1.223073  0.00000000
:BAN00014:  14    1.247503    1.742190  0.00000000
:BAN00015:  15    1.305240    1.924662  0.00000000
:BAN00016:  16    1.545255    1.944296  0.00000000
:BAN00017:  17    1.726477    1.998516  0.00000000
        Energy to separate low and high energystates:   -0.03228


:NLDA  : NUMBER OF ELECTRONS          =  20.000

:FLDA  : F E R M I - ENERGY           =   1.02699




: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           =   0.60592

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    12.108847
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 0.1884 6.1648 5.7226 0.0269 0.0000 0.0000 0.0000 2.0449 3.6776 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 -0.7943    5.9897 -3.3567    0.0268 -0.7586    0.0032 -0.7672
        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:  0.1679  0.1533    0.1751  0.2006    5.6958  0.5047    0.0237  0.2614

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     5.476132
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.6456 3.8063 0.0198 0.0035 0.0000 0.0000 0.0000 0.0091 0.0107 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 -0.7690    0.0017 -1.9307    0.0004 -2.9284    0.0002 -3.1532
        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:  0.0618  0.3809    3.8045  0.2187    0.0194  0.4591    0.0033  0.4925

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      20.031761

:SUM  : SUM OF EIGENVALUES =         -17.368668145