Stress-strain curve

Hello Xu,

I am calculating in GPa. And I am aware of the difference between atm and bar units. See my concern is not the value of stress itself, but the stress kept on increasing as if no bond is breaking! Do you have any suggestion for that?

Hi,

One thing I’m seeing in your code is the problem with units of pressure.
Are you trying to calculate stress in GPa unit?

Note that in REAL units in lammps, pressure is in atmosphere unit not bar.