[lammps-users] Lattice constant at different temperatures

Dear Steve,

I tried to use the minimize and fix box/relax commands to find equilibrated lattice constant. But, I see that the lattice constant determined is the same for all the cases.
Can you please look into the attached script file and let me know your comments?

Thank you,

in.minimization (787 Bytes)

Cu_mishin1.eam.alloy (690 KB)