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fix: use Greek Γ, not Cyrillic Г, in k-point paths - #359

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fix/cyrillic-gamma-kpath
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fix: use Greek Γ, not Cyrillic Г, in k-point paths#359
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fix/cyrillic-gamma-kpath

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@VsevolodX

@VsevolodX VsevolodX commented Aug 19, 2026

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What

Five notebooks spelled the Brillouin-zone centre with Cyrillic Ghe (U+0413) instead of Greek capital gamma (U+0393). The two characters are visually identical in most fonts.

The server resolves the k-point label against the reciprocal lattice by string comparison, so any path containing it fails at the pw_bands step with:

Point Г not found in reciprocal lattice

Impact

file occurrences live or commented
specific_examples/defect_point_substitution_graphene_simulation.ipynb 2 live code
workflows/band_structure.ipynb 2 commented example
workflows/band_structure_hse.ipynb 2 commented example
workflows/band_structure_magn.ipynb 2 commented example
workflows/valence_band_offset.ipynb 1 commented example

The graphene notebook is the one that actually breaks: both RUN_PROFILE branches (debug and production) carry the bad character, so it cannot complete as merged.

The other four hold it in the commented KPATH example — which is where the graphene notebook copied it from. Fixing those too is the point of the PR: it stops the character propagating into the next notebook written from them. It has already propagated at least twice.

Verification

  • A repo-wide sweep of the Cyrillic block (U+0400U+04FF) across all .ipynb, .py, .md and .json now returns zero matches.
  • Every notebook still parses as JSON.
  • Diff is byte-identical apart from the character itself — 7 lines, 9 occurrences, no behaviour change beyond the graphene notebook going from broken to working.

🤖 Generated with Claude Code

Summary by CodeRabbit

  • Documentation

    • Corrected band-structure and valence-band-offset notebook examples to use the standard Greek Gamma symbol (Γ) in k-path labels.
    • Updated debug, production, HSE, and magnetic band-structure examples for consistent notation.
  • Bug Fixes

    • Fixed incorrect character usage in example k-path definitions and comments without changing workflow behavior.

The band-structure notebooks spelled the zone centre with Cyrillic Ghe
(U+0413) instead of Greek capital gamma (U+0393). The server matches the
label against the reciprocal lattice by string, so any k-path containing
it fails at pw_bands with "Point Г not found in reciprocal lattice".

In defect_point_substitution_graphene_simulation.ipynb this is live code
and affects both RUN_PROFILE branches, so the notebook cannot complete as
merged. In the four workflow notebooks it sits in the commented KPATH
example, which is where the graphene notebook copied it from - fixing
those too stops it propagating into the next notebook written from them.

Only the character changes; the diff is byte-identical otherwise.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
@review-notebook-app

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@coderabbitai

coderabbitai Bot commented Aug 19, 2026

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Review Change Stack

No actionable comments were generated in the recent review. 🎉

ℹ️ Recent review info
⚙️ Run configuration

Configuration used: defaults

Review profile: CHILL

Plan: Pro Plus

Run ID: 94dc1e2c-4bac-48e8-9fee-1a1804806a8c

📥 Commits

Reviewing files that changed from the base of the PR and between a2b7961 and 779e55d.

📒 Files selected for processing (5)
  • other/materials_designer/specific_examples/defect_point_substitution_graphene_simulation.ipynb
  • other/materials_designer/workflows/band_structure.ipynb
  • other/materials_designer/workflows/band_structure_hse.ipynb
  • other/materials_designer/workflows/band_structure_magn.ipynb
  • other/materials_designer/workflows/valence_band_offset.ipynb

Included review availability: Your plan provides up to 1 included review per hour; 0 remain after this review.


📝 Walkthrough

Walkthrough

The notebooks replace Cyrillic Г with Greek Γ in debug, production, and example band-structure K-path definitions. Workflow behavior remains unchanged.

Changes

Gamma label correction

Layer / File(s) Summary
Correct K-path Gamma labels
other/materials_designer/specific_examples/defect_point_substitution_graphene_simulation.ipynb, other/materials_designer/workflows/*.ipynb
Updated K-path endpoint labels from Cyrillic Г to Greek Γ in five notebooks. Intermediate path points remain unchanged.

Estimated code review effort: 1 (Trivial) | ~2 minutes

Merge Risk: ⚪ Minimal · up to 779e5

This change replaces the incorrect Cyrillic character with Greek Gamma in affected notebook k-point paths, restoring the broken graphene workflow without changing intended behavior elsewhere. No actionable merge-blocking risk remains beyond normal checks and review.

Possibly related PRs

  • mat3ra/api-examples#358: Corrects the same character substitution in the graphene simulation notebook’s K-path definitions.

Suggested reviewers: timurbazhirov

🚥 Pre-merge checks | ✅ 5
✅ Passed checks (5 passed)
Check name Status Explanation
Description Check ✅ Passed Check skipped - CodeRabbit’s high-level summary is enabled.
Title check ✅ Passed The title clearly and concisely describes the main change from Cyrillic Г to Greek Γ in k-point paths.
Docstring Coverage ✅ Passed No functions found in the changed files to evaluate docstring coverage. Skipping docstring coverage check.
Linked Issues check ✅ Passed Check skipped because no linked issues were found for this pull request.
Out of Scope Changes check ✅ Passed Check skipped because no linked issues were found for this pull request.
✨ Finishing Touches
🧪 Generate unit tests (beta)
  • Create PR with unit tests
  • Commit unit tests in branch fix/cyrillic-gamma-kpath

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@VsevolodX VsevolodX closed this Aug 19, 2026
@VsevolodX
VsevolodX deleted the fix/cyrillic-gamma-kpath branch August 19, 2026 03:38
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