Dear lammps users,
I’ve two questions here.
The first one is how can I get the lattice parameter after the equilibrium with NPT integrator? For NVT, I might get it by varing the lattice parameter, and calculate the energy. Finally polyfit the data and find the minimum energy point which corresponding to the equilibrium lattice parameter.
The second question is if I want to anlyze the energy in slice, what could i do? Please suggest a post-processing tool.
Thanks in advance.