I’ve been trying to run a simulation of H into Zr. I give it an energy (5keV) and run a collision cascade but the energy calcluated using the ke compute does not match the original energy that I gave it.
I then tried to just put the H into an empty box to make sure it wasn’t any other parts of my code that was interfering with the compute but I get unrealistic energy outputs for the entire system and I;m given an arbitrary energy of 470454.63 each time and with a very high temperature for the system but no temperature calculated for the single H itself.
I’ve attached the output log file. Please could someone advise why I’m getting these results?
Thanks in advance
log.lammps (15.7 KB)