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sol27lc-protocol

Fixed Sol27LC-style lattice-constant benchmark protocol.

Skill by chouyoudou

IndexedMIT
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About

Fixed Sol27LC-style lattice-constant benchmark protocol.

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What this skill can do and what it asks for, from its SKILL.md. Checked Oct 25, 2026.

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  • codeload.github.com · found in install command

Files it touches

  • ~/.claude/skills/sol27lc-protocol

What's inside

Skill name
sol27lc-protocol
Description
Fixed Sol27LC-style lattice-constant benchmark protocol.
License
MIT
Instructions
23 lines in SKILL.md · view on GitHub

Files (1)

  • SKILL.md

SKILL.md (first lines)

# Sol27LC Protocol

## Fixed Flow

1. Initialize the single-material conventional cell from lattice type, element,
   and reference lattice constant.
2. Generate one convergence grid for kspacing and ecutwfc.
3. Run or dry-run convergence jobs.
4. Select parameters with an explicit meV/atom threshold.
5. Generate EOS jobs around the initial scale.
6. Fit the minimum and report lattice constant and error.

## Acceptance

- Selected kspacing and ecutwfc are recorded.
- EOS fit is convex.
- Final report includes the reference value and percent error.

## Verification

Run `matsci_run_harness` with suite `sol27lc`.

From chouyoudou/matsci-mcp, MIT.

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Last commit (this folder)
Apr 26, 2026 (6 months ago)

From GitHub (fetched Oct 24, 2026).

Details

License
MIT
First seen
Oct 24, 2026
Last checked
Oct 24, 2026

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sol27lc-protocol skill. Agent Mart. https://agentmart.dev/skills/chouyoudou-sol27lc-protocol (last updated 2026-10-24)