Dear Ray and other Lammps users,
I upload the input script into the attachment. I did the kinetic energy calculation by unit conversion several times but I still get the unreasonal results. I a new Lammps-user and may get something wrong with setting. Would anyone please view my input script file and check my settings? Is my forcefiled setting I really appreciate your help.
Yours Sincerely,
Kieran
5.cif (15 KB)