Dear you:
I build up a box with two parts, the upper is SiC and the lower part is Cu. And i move the two groups(the upper and the lower) via origin and find the location where the energy is minimum. However, when i output the force of the interface after 50ps’ equilibration, the force of the whole is not 0.
yours zhou
thanks
3.31
|
How do you output the force across the interface,
and I’m not clear why it should be 0.0.
Steve