COSMO Segment charge density

[Ma N]

Hello,

I'm struggling to get COSMO segment surface charge densities that I need to create the sigma profiles in COSMO-SAC.

I am not a chemist by training, so please explain like I am five. I've read papers that used DFT to accomplish that, I have a general understanding of DFT but not enough to parametrize it with ease. Any help will be highly appreciated!

Thanks,

Mahmoud Nassif

[Ma N]

It seems like I need to start with the created .xyz file that includes the surface datapoints with the charges.

I'm not sure how to get the segment coordinates that I will use to connect the 2 together.