:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5
         Bandranges (emin - emax) and occupancy:
:BAN00014:  14    0.592524    0.711035  1.00000000
:BAN00015:  15    0.598691    0.769137  1.00000000
:BAN00016:  16    0.598691    0.769137  1.00000000
:BAN00017:  17    0.774616    0.824140  1.00000000
:BAN00018:  18    0.774616    0.824140  1.00000000
:BAN00019:  19    0.826325    0.910114  0.99914047
:BAN00020:  20    0.826325    0.910114  0.99914047
:BAN00021:  21    0.834370    0.910114  0.99822500
:BAN00022:  22    0.834370    0.910114  0.99822500
:BAN00023:  23    0.900092    0.918460  0.00263453
:BAN00024:  24    0.900092    0.918460  0.00263453
:BAN00025:  25    0.915112    1.006542  0.00000000
:BAN00026:  26    0.915112    1.006542  0.00000000
:BAN00027:  27    0.920699    1.010272  0.00000000
:BAN00028:  28    0.920699    1.010272  0.00000000
:BAN00029:  29    0.942763    1.010272  0.00000000
        Energy to separate low and high energystates:    0.40462


:NLDA  : NUMBER OF ELECTRONS          =  22.000

:FLDA  : F E R M I - ENERGY           =   1.40029




: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           =   0.87511

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    13.947218
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.0709 5.5519 0.6020 5.7134 0.0000 0.0000 0.0000 0.3384 0.2791 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:  1.9798 -2.6089    5.2951 -0.6536    0.0401 -0.1217    0.0148 -0.0872
        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:  0.0912  0.6128    0.2569  0.6493    0.5619  0.6444    5.6986  0.8382

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     5.565794
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.7488 3.7099 0.0769 0.0216 0.0000 0.0000 0.0000 0.0520 0.0406 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:  1.7193 -0.1304    0.1004 -0.4572    0.0266 -0.5509    0.0088 -0.6383
        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:  0.0295  0.6542    3.6095  0.6351    0.0503  0.7642    0.0129  0.7693

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      22.063189

:SUM  : SUM OF EIGENVALUES =          -0.767312209