[Wien] Bader analysis

[Hefei Hu]

Dear Wien2k users,

I am using aim to analyze charges of atoms in unit cell. The system I
am looking at is FeTe with formal charge 2+ for Fe and 2- for Te. The
keyword in case.inaim I used is Surf, and below is the last several
lines of output file case.outputaim for Fe.

Error analysis, values in degrees
RMS Angular Error          3.23050888 Sum of moduli     0.383514
Gradient weighted Error    0.14598727 Rho weighted      0.153686
Estimated Charge Error     0.00056477 Electrons (only a rough estimate!)

Integrated interstial charges:
:RHO from Cubic Spline    1.72204544
:RHO from Parabolic       1.72204461
:RHOINTE (Quadrature)     1.72204615 :VOLUME    92.472093

:PARABOLIC  for IND-ATOM   1  Z= 26.0  CHARGE:  25.88405837   0.11594163
:CUBESPLINE for IND-ATOM   1  Z= 26.0  CHARGE:  25.88405920   0.11594080
:RHOTOT     for IND-ATOM   1  Z= 26.0  CHARGE:  25.88405992   0.11594008
 total cputime:   1586.22000000000       Wall    1613.10326910019

Does this result mean that the charge of Fe is 0.12? That is far from
2+. How do I deal with interstitial charges of 1.72? I saw an old
message in the maillist stated that there should be no interstitial
charge in aim analysis. I am new to this aim, so any suggests are
welcome. Thanks in advance!

Best,
Hefei