slab-generation

To generate a crystal slab for DFT calculations, provide a bulk crystal input with your desired Miller index, then specify layer counts and vacuum parameters to produce a surface model output in JSON format.

Creating a surface model for adsorption studies requires specifying the Miller index, layer count, vacuum thickness, and slab thickness to ensure the generated crystal slab is physically meaningful.

Yes, slab generation supports common production scenarios including oxide crystals by providing guidance on terminations and slab thickness to derive high-quality surface slabs across many crystal systems.

The best way to prepare surface models for surface energy assessments is to derive slabs from bulk crystal structures using Miller indices and configurable vacuum settings to isolate the target surface.

Yes, slab generation outputs slab data in JSON format, which is suitable for downstream computational workflows and visual inspection of the generated surface models.

You control the vacuum size when generating slabs by specifying the vacuum parameter in the task configuration, which defines the empty space added along the surface normal to prevent periodic interactions.