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


:NLDA  : NUMBER OF ELECTRONS          =  26.000

: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 =  2

       LMMAX  6
       LM=   0 0  4 0  4 4  6 0  6 4 -3 2


:NOE  : NUMBER OF ELECTRONS          =  26.000

:FER  : F E R M I - ENERGY           =   0.88131

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =     9.894860
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 1.9883 5.2183 0.4929 2.1797 0.0000 0.0000 0.0000 0.1112 0.3981 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:  1.9244 -2.3730    4.8477 -0.6581    0.0346 -0.5078    0.0151 -0.4786
        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:  0.0639  0.4612    0.3706  0.5035    0.4583  0.4383    2.1645  0.8198

:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =     6.537389
:PCS002: PARTIAL CHARGES SPHERE =  2 S,P,D,F,      D-EG,D-T2G 
:QTL002: 1.8593 4.5948 0.0596 0.0171 0.0000 0.0000 0.0000 0.0197 0.0566 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:  1.8375 -0.5560    0.1335 -0.5278    0.0271 -0.6707    0.0087 -0.7511
        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:  0.0218  0.5140    4.4613  0.4905    0.0326  0.5723    0.0083  0.6019

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      26.164976

:SUM  : SUM OF EIGENVALUES =          -3.106986270