UT theoretical chemistry code forum

Dear Prof. Graeme,

I calculated the atomic bader charges for
W on W(CO)6.

I end up with the charge of 14.5034-6=8.5034
which is heavily unusal.

# X Y Z CHARGE MIN DIST ATOMIC VOL
--------------------------------------------------------------------------------
1 9.7450 3.9397 23.4214 5.3592 0.4396 471.2992
2 6.4195 7.0404 23.6212 5.4964 0.4048 382.6524
3 6.7121 3.8008 26.8055 5.5799 0.4568 3796.4723
4 6.3570 3.8498 20.3807 5.4872 0.4438 3758.3148
5 6.6496 0.6102 23.5650 5.5187 0.3912 391.9415
6 3.3241 3.7109 23.7648 5.3335 0.4344 477.8736
7 6.4616 5.8815 23.6109 3.0599 0.4727 7.6124
8 6.6469 3.8102 25.6477 2.9974 0.5146 6.5091
9 6.4222 3.8404 21.5385 3.0759 0.5154 6.2757
10 6.6075 1.7691 23.5753 3.0556 0.4667 7.1301
11 4.4815 3.7526 23.7036 3.2802 0.5331 6.2381
12 8.5876 3.8980 23.4826 3.2527 0.5261 7.5735
13 6.5346 3.8253 23.5931 14.5034 1.3288 240.1502
--------------------------------------------------------------------------------
VACUUM CHARGE: 0.0000
VACUUM VOLUME: 0.0000
NUMBER OF ELECTRONS: 66.0000

I calculated the charges by combining
AECCAR0 and AECCAR2 as mentioned
in the bader site.

I get reasonable charges for C and O.

Therefore could you please help me why i am getting this.
If you need info on any files please let me know.

With thanks,
vimal

I can't see anything wrong with the analysis. I also don't have any insight into the interpretation.