How to only expand the primitive structure in 2 dimensions?

icet
1

Hi everyone,

I was trying to use ICET to generate a cluster space for an adsorption system with atomic oxygen on copper fcc 111, and I was trying to only expand the primitive structure in x and y directions by setting the periodic boundary condition pbc=[True, True, False]. However, it looks like ICET has a check to prevent this. I was wondering is it still possible to construct the cluster expansion in 2D?

Any suggestion would be appreciated!

2

Hi,
Does this information on the documentation help?

3

Thanks for the help! I was able to do it with the explanation in the documentation.

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