UT theoretical chemistry code forum

I am performing a Car-Parrinello molecular dynamics(CPMD) of a single Li+ in 48 waters and I have obtained some gaussian-style cube files. I want to calculate the charge transfer amount of Li and waters as a function of the distance(rLi-M, M indicates the water center of mass ). I would like to know if the bader code can work? Can anyone give me some help? Thanks in advance!
Best
Yongping Zeng
Yangzhou University, China