Falonne nkou

Dear All, I am writing to seek your guidance regarding an issue I am encountering with DDEC6 charge calculation using Chargemol. I performed a spin-polarized SCF calculations using the last trajectory of my AIMD data, obtained with CP2K version 2024.1. I noticed that a similar issue was reported on the group list on 2018-08-13 08:47:46, but it appears to remain unaddressed. In my case, I successfully generated valence_density.cube and spin_density.cube files and places them in the same directory...