[Wien] Is it possible to add vacuum to two orientation?

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.ac.be
Thu Sep 4 09:18:37 CEST 2003


> Just in case your question was 'technical' (i.e., how to do it?) :
> Run x supercell twice.
> In the first run, increase the cell and add x-vacuum.
> In the second run, keep the size of the cell (1*1*1 units) and add
> y-vacuum.

Or alternatively -- in case of a 'simple' system as a wire, for instance -- 
just make the case.struct from scratch in a text editor. There is nothing
mysterious to supercells (i.e. you don't have to pass through 'x
supercell'), you can create them yourself just as any other cell.

Stefaan




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