:GMA  : POTENTIAL AND CHARGE CUT-OFF  12.00 Ry**.5


:NLDA  : NUMBER OF ELECTRONS          =  20.000

:FLDA  : F E R M I - ENERGY           =   0.00000




: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           =   1.15235

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    10.369148
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.0051 5.2587 0.7884 2.3063 0.0000 0.0000 0.0000 0.2298 0.6058 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:  1.9395 -2.1068    4.9458 -0.3378    0.0232 -0.3099    0.0101 -0.2658
        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:  0.0656  0.6493    0.3128  0.7081    0.7652  0.8465    2.2962  1.0726

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     6.690588
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.8925 4.6247 0.1374 0.0278 0.0000 0.0000 0.0000 0.0605 0.1162 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:  1.8714 -0.3739    0.1774 -0.2605    0.0373 -0.3169    0.0112 -0.3773
        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:  0.0211  0.7521    4.4473  0.6884    0.1001  0.9581    0.0166  0.9580

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      20.000000

:SUM  : SUM OF EIGENVALUES =           1.335303587