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Hello!

I was considering to simulate a of alluminum coated with a layer of titanium diboride.
The first material is a face centered cubic and the second a hexagonal one. So they have different primitive vectors.

Could you suggest what I should do with the primitive vectors in the POSCAR file? :?

1. Construct the Al layer. Use corresponding vectors of the Al cell.
2. Look for such plane of the TiB2 structure which have vectors similar to vectors of the Al cell.
3. Construct the layer of TiB2.
Note that you can combine many cells of Al with many cells of TiB2.