Provides k-point generation tools for Quantum ESPRESSO density functional theory calculations using machine learning models. Offers two main functions: estimating optimal k-point spacing with uncertainty quantification and generating k-point grids based on crystal structure files. Supports both ALIGNN and Random Forest models with configurable confidence levels for automated determination of computational parameters while ensuring convergence reliability.
Cognium trust score
64%
Tier
Scanned
Composite of vulnerability cleanliness, spec conformance, provenance, stability, and usage signals — scanned and weighted by Cognium. Human and agent signals are tracked separately.
Last scanned 2026-09-02.
Returns 7 tools: search_skills, get_skill, list_leaderboard, get_trust_breakdown, resolve_composition, plus the ChatGPT-connector search and fetch. Every tool is annotated read-only.
Resolve this skill directly via MCP tools/call get_skill.