Dear all, I am going to do something with the surface phonons of metals, especially for a surface with an absorbate. But I have no idea how can I fulfil this. I have read and tried the example02, but I am not sure if I should do the same way as it? For a surface simulated by a slab supercell, there would be two surfaces, actually, how can I mimic the bulk like substrate? By including thicker slab or just fixed one side as is done in a surface relaxation?
If anyone can share the script to do so, it will be highly appreciate. Thank you. Konzern
