I am sure about the lattice command right know as the I inserted “Cu lattice constant” in “scale value” as per LAMMPS documentation. In relation to the LJ parameteres, I also inserted epsilon=0.32ev based on the textbook info. and sigma =2.28 Ang (Sigma in LJ potential is equal to the material atomic diameter). but, temperature is still too high! may be something wrong is with the Tdamp?!
I should also check larger system sizes. yes?!
I fixed the problem which was the system too small size.
please understand two things:
1) i am not your adviser. i am not interested in your research, rather
i worry about LAMMPS working as it should. so please don't ask me (or
the mailing list) to tell you how to do your research.
2) i have demonstrated and explained, that LAMMPS is behaving as it
should for the parameters your provide. i have described how i have
verified this. for me, this case is closed now. if you believe, that
some LAMMPS command is not working as it should, you have to provide
better proof. the fact, that you believe that everything you entered
is correct is no proof. i cannot tell, whether the parameters you
enter are correct or require conversion factors or additional
adjustment. i do recall lost of cases from the past, where people
would be willing to swear any kind of oath to confirm that their input
was correct, yet we would still prove them wrong.
so you have to work this out on your own. there are sufficient
indications in your input, that you are not doing things perfectly for
me to assume, that a) there is room for improvement and b) that i do
not trust your assessment of what is wrong or what solves a problem.
there is a good chance, that you just avoid the symptom, but don't fix
the problem at the core.