:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00012:  12    0.528814    0.783875  1.00000000
:BAN00013:  13    0.654900    0.820880  1.00000000
:BAN00014:  14    0.654900    0.820880  1.00000000
:BAN00015:  15    0.661231    0.899075  1.00000000
:BAN00016:  16    0.661231    0.899075  1.00000000
:BAN00017:  17    0.842907    1.004483  1.00000000
:BAN00018:  18    0.842907    1.004483  1.00000000
:BAN00019:  19    0.981278    1.079689  0.74152805
:BAN00020:  20    0.981278    1.079689  0.74152805
:BAN00021:  21    1.017716    1.079689  0.25847195
:BAN00022:  22    1.017716    1.079689  0.25847195
:BAN00023:  23    1.074196    1.109711  0.00000000
:BAN00024:  24    1.074196    1.109711  0.00000000
:BAN00025:  25    1.087151    1.124929  0.00000000
:BAN00026:  26    1.087151    1.124929  0.00000000
:BAN00027:  27    1.101137    1.150356  0.00000000
        Energy to separate low and high energystates:    0.47881


:NLDA  : NUMBER OF ELECTRONS          =  20.000

:FLDA  : F E R M I - ENERGY           =   1.52277




: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           =   1.03183

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    11.700825
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.0372 5.3402 0.7802 3.5325 0.0000 0.0000 0.0000 0.3494 0.4597 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:  1.9556 -2.2433    4.9970 -0.4076    0.0504 -0.0256    0.0195  0.0191
        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:  0.0817  0.6847    0.3433  0.7561    0.7299  0.7787    3.5130  1.0136

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     5.648578
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.7380 3.7478 0.1250 0.0281 0.0000 0.0000 0.0000 0.0723 0.0860 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:  1.7008 -0.0451    0.1630 -0.2940    0.0381 -0.3584    0.0111 -0.4319
        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:  0.0372  0.7632    3.5849  0.7403    0.0869  0.8982    0.0170  0.9032

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      20.461306

:SUM  : SUM OF EIGENVALUES =           3.857723303