UT theoretical chemistry code forum

[/quote]You should add AECCAR0 and AECCAR2.[/quote]

There is a mistake in my post. I add AECCAR0 and AECCAR2.
But the result of Bader analysis on CHGCAR_sum is 1621.4448 core electrons

When I add AECCAR0 and AECCAR1 I obtain the total charge of the system (core+valence). Now, if I do a Bader analysis on CHGCAR_sum I have strange results:


# X Y Z CHARGE MIN DIST ATOMIC VOL
--------------------------------------------------------------------------------
1 2.7085 1.5849 1.1265 ...