Dear simulators,

I want to study a nano-cluster with support. But i am not sure how would i do this. These are the following ways i am thinking. Can anyone help me if i am correct or wrong, and what else i need to keep in mind.

1) First i will import a crystal structure from the software and geometry optimize it.

2) Cleave the surface i want to study and make a vaccum slab. Run the geometry optimization again.

3) Then make a supercell, thinking of space that i would need for the cluster and geometry optimize it.

4) Then copy my cluster in the supercell structure inside the slab and rerun the geometry optimization again.

I will really appreciate the help.

Thank you,

Suraj