[Wien] optimization of Bader program

[Jorissen Kevin]

Dear wien users, and particularly the authors of the aim program,
 
I'm wondering whether you feel there is still room for optimization of the efficiency of the Bader program.  For SURF/IRHO, aim is taking many, many hours.
 
Eg., I think that often the program searches in which MT a point belongs, while it ought to know perfectly, since the point was designed to be in a particular sphere.  But I am not 100% sure of this observation.
 
Please share your views on this; I'm sure that (especially the authors) are best placed to judge where optimization could be achieved.
 
Thank you,
 
Kevin Jorissen.