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Structure notebook: section 3 split into 3.1 (formula of a plane) and 3.2 (cleaved slab per orientation, with the even-planes sentence moved there); section 4 into 4.1 (cut and remove) and 4.2 (report). Simulation notebook: a sentence above the account selection; section 6 split into 6.1 (find or create a job), 6.2 (one Total Energy job per material) and 6.3 (submit and wait). Markdown only. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
…s of the notebook, section 4 as before Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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Caution Review failedThe pull request is closed. Finishing Touches
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Every code cell in
slab_strontium_titanate.ipynbandslab_strontium_titanate_SIMULATION.ipynbnow has a markdown description directly above it; markdown only, no code change (follow-up to #386).🤖 Generated with Claude Code