hi, all
I tested running a simple simulation with a small block of diamond using
Tersoff and REBO potentials. The block shows a melting behavior at a low
temperature of about 300 K, which seems abnormal. I wonder whether there
is something wrong with the code, if it's not because of my stupidity.
My simple example using Tersoff potential is attached with this email.
Please check it. The pbc is actually exerted on the z axis with a big
box length for the xy axes. The lammps version I used is 31Oct10.
Best regards,
Wei Zhang
input.lammps (19.2 KB)
in.MD (308 Bytes)