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


:NLDA  : NUMBER OF ELECTRONS          =  16.000

: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


:NOE  : NUMBER OF ELECTRONS          =  16.000

:FER  : F E R M I - ENERGY           =   0.96006

:CHA001: TOTAL CHARGE INSIDE SPHERE   1 =    13.034751
:PCS001: PARTIAL CHARGES SPHERE =  1 S,P,D,F,      D-EG,D-T2G 
:QTL001: 2.1255 5.2780 0.7187 4.9087 0.0000 0.0000 0.0000 0.2685 0.4635 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:  1.9626 -2.3730    5.1677 -0.4279    0.0158 -0.2646    0.0052 -0.2978
        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:  0.1629  0.8093    0.1103  0.8834    0.7029  0.8714    4.9035  0.9909

:CHA  : TOTAL CHARGE INSIDE UNIT CELL =      16.000000

:SUM  : SUM OF EIGENVALUES =           0.329039273

:XSUM : SUM OF EIGENVALUES =          -1.031374974