Equilibra at a given temperature, at which you want to check the lattice parameter using NVE.
dont do minimization after that, otherwise you ll not be able to capture the accurate lattice structure at a finite temperature.
Vijay
hi everybody
I calculated equilibrium lattice parameter using box/relax and minimization
commands. i feel it calculates the lattice parameter at RT but if i want to
calculate lattice parameter at different temperatures how can i do that in
lammps. My input script file is attached.