charge diff between charged and neutral state?

[edurgun]

Dear all,

i would like to use chgdiff.pl in order to obtain difference charge density of the system in charged (+1) and neutral state. in other words diff=system(+1)-system(0) in order to observe charge localization. but the size of CHGCARs are not same so the script gives an error message: "Number of points not same in two files!" is there a way to obtain such a difference? (the supercell size and the number of atoms are same in both case)

Thank you very much in advance...

[graeme]

Check the size of the charge density grid at the top of each CHGCAR file. VASP may choose a different value for your charged and neutral system (or if you ran one with a different number of processors). To force them to be the same, set NGXF,NGYF, and NGZF in your INCAR file.