Worked Workflows

Choose a case by its material and scientific question, then open it. Each case follows the browser, viewer, editor, terminal, or HPC actions a researcher would take, the outputs and figures to inspect, and the next decision. Reproducibility evidence remains available inside the case. A case documents only its stated route; it does not replace the A–E Research Workflow or support conclusions beyond the checks shown.

1. Silicon Ground-State and Electronic-Structure WorkflowFollow a real COD Silicon structure through model inspection, numerical setup, reference calculations, bands, DOS, plots, and bounded interpretation using separately recorded real QE 7.5 evidence.
2. Aluminium Metallic Electronic-Structure WorkflowFollow an explicit fcc Aluminium teaching model through metallic setup, real QE SCF/full-zone/DOS branches, convergence and E(V) screens, plots, and bounded interpretation.