Hi, everyone,
I am trying to model a system with periodic boundaries. There are two kinds of crystal lattice in my system, like following:
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“x” and “u” have different lattice parameters. I use read_data to import all the information. Now I want to set the left and right boundaries of the box periodic. But I am not sure how large the simulation box should be. Because the two parts have different period. If I put them in one box, the length of box can not be integer multiple of both of their lattice parameters. If I put them in two boxes and give boundary condition such as p s s , I don’t know what will be the period of the model in x direction, the larger box length or different period for different boxes. How can I give boundary condition and set box size for this problem?
Any suggestion would be helpful.
Thanks,
Zhao