[Wien] QTL for 3d elements

[M.Y.Wu]

Dear Wien2k users,

I tried CaMnO3 (Pnma space group, 4  NONEQUIV.ATOMS), I don't understand 
the QTL value I got for Mn, is there someone can help me?
the results I got is following:
:CHA002: TOTAL CHARGE INSIDE SPHERE   2 =    12.293294
:PCS002: PARTIAL CHARGES SPHERE =  2 
S,P,D,F,PX,PY,PZ,D-Z2,D-X2Y2,D-XY,D-XZ,D-YZ
:QTL002: 2.0928 6.0158 4.1542 0.0260 2.0050 2.0057 2.0050 0.8994 0.6955 
0.9663 0.6087 0.9842
         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:  2.0031 -5.3019    5.8797 -3.0432    0.0608 -0.7636    0.0037 -0.7695
         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:  0.0897  0.1214    0.1360  0.2095    4.0934  0.3595    0.0222  0.3267

My question is: why the partial charges on D-XZ is smaller than D-XY and 
D-YZ, and D-Z2 is larger than D-X2Y2?
                         why the total partial charges on 3d is 4.1542. I 
think it should be 3 or a little larger as Mn is 4+ in CaMnO3.

Best regards,
Mengyue