Core charge

[graeme]

To be safe, you should always include the core charges in your Bader calculations by summing the AECCAR0 and AECCAR2, and then integrating the CHGCAR (valence change) over the volumes calculated from the total charge. This is described here:
http://theory.cm.utexas.edu/vtsttools/bader/vasp.php

[zwmiracle]

oh Many many thanks ! ^_^