:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00002:   2   -4.273258   -4.271956  2.00000000
:BAN00003:   3   -4.272842   -4.271956  2.00000000
:BAN00004:   4   -0.942064   -0.821527  2.00000000
:BAN00005:   5   -0.075993    0.278523  2.00000000
:BAN00006:   6    0.072159    0.278523  2.00000000
:BAN00007:   7    0.100613    0.278523  2.00000000
:BAN00008:   8    0.232064    0.344554  2.00000000
:BAN00009:   9    0.284907    0.348146  2.00000000
:BAN00010:  10    0.329711    0.388566  2.00000000
:BAN00011:  11    0.339714    0.565087  1.53029347
:BAN00012:  12    0.339714    0.565087  0.46970653
:BAN00013:  13    0.622121    1.161695  0.00000000
:BAN00014:  14    1.172867    1.801903  0.00000000
:BAN00015:  15    1.294438    1.909426  0.00000000
:BAN00016:  16    1.477596    1.930326  0.00000000
:BAN00017:  17    1.710340    1.996231  0.00000000
        Energy to separate low and high energystates:   -0.12599


:NLDA  : NUMBER OF ELECTRONS          =  22.000

:FLDA  : F E R M I - ENERGY           =   0.94905




: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          =  22.000

:FER  : F E R M I - ENERGY           =   0.53961

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    14.298143
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 0.2290 6.2209 7.8109 0.0300 0.0000 0.0000 0.0000 2.1676 5.6433 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:  0.0270 -0.8782    6.0137 -4.2556    0.0318 -0.8345    0.0037 -0.8449
        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:  0.2021  0.0941    0.2072  0.1969    7.7791  0.3005    0.0263  0.2308

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     5.919849
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.7314 4.1428 0.0337 0.0087 0.0000 0.0000 0.0000 0.0138 0.0199 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:  1.6719 -0.8481    0.0026 -1.9002    0.0007 -3.3044    0.0003 -3.7989
        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:  0.0595  0.2861    4.1403  0.1926    0.0330  0.2837    0.0084  0.2990

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      22.053478

:SUM  : SUM OF EIGENVALUES =         -23.726450756