Dear Lammps users, I have a question about the "melt" example of LAMMPS; in particular, I am confused about the pressure output values.
I am running the example input script (inside "share/lammps/examples/melt"), and I am adding the tail corrections too (via pair_modify tail yes)... now, the program generates pressure values P* around 6, which correspond to more or less 2500 atmospheres for Argon... and this value seems to me to be totally non-sense!
The temperature is a much more reasonable value of T* = 1.5 (180 K for Argon). The simulation is run at a reduced density of 0.8442.
What is wrong with that? What information am I missing?
The only other parameter I have changed, with respect to the original input script, is the total number of steps (from 250 to 10000).
Thanks in advance and greetings for the New Year,