[lammps-users] about lattice parameter and data post-processing

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.


The thermo custom command can print the box size (total vol, or lx, ly, lz)
as NPT runs, so you can infer your lattice spacing from that.

The fix ave/spatial command lets you time average quantities
in x,y, or z slices. So you can bin and average energy or other
things that way.