Yes
Thank you Dr. Anders Blom.
But there is another problem I have.
When I tried to optimize the bulk system, how could I choose the optimization condition? Usually, bulk system is larger than unit, so it may take a long time to get the optimization geometry. So can I set the max force and max stress larger than unit cell? for example, my optimization condition for the unit cell is max force=0.05eV/A and max stress=0.05eV/A. When I use the unit cell to form the central region of my device and Cu as electrode to do bulk system relaxation, I choose max force=1eV/A and max stress=1eV/A. And if it is acceptable, how can I decide which kind of condition is good enough for a further analysis?
And another thing is that when I got the optimized geometry, the copper layers in the bulk system get torsion, I am not able to form the device from bulk using the function in quantumwise. what should I do? The optimized bulk configuration is attached.
Thank you.
Jenny