Hello sir,
I have created a simulation system consisting of a sphere and two plates on top of that along z-direction. Initially when I run the simulation to calculate the pressure it shows a very high value, ideally it should be near zero. In the next iteration, I used displace box command(0.995 along z- direction and no displacement along x and y direction) to displaced the sphere atoms & used restart file from first iteration to calculate the pressure. This time pressure value is very much close to the initial relaxed state value but on the higher side.
Plz , help me in solving this problem, as to why the system is showing high pressure value initially.
Thanks in advance.
Shivraj Karewar.