UT theoretical chemistry code forum

Thanks for getting back to me on this. I see similar results, actually. I thought displace_atom_list=-1 in my config.ini was meant to center the epicenter on a specific atom in the configuration (as opposed to displace_random_weight), but I guess the 'random' from reported processes found actually r...

Hi again, I logged back into my computer this morning, copied pos.con, config.ini and potfiles/ into a new folder - tried eon in there, and it worked. I suspect the problem was due to having other files in the folder whose name started with pos. Cleaning up my old folder also worked. Indirectly, you...

Hi, I'm Frederic Houlle, a PhD student working at the University of Erlangen-Nuremberg, in Prof. Erik Bitzek's group - I hope this is the right place to post this. We're trying to use EON to find some vacancy migration processes at a grain boundary (GB) in Al, modeled with an lammps format embedded ...