# Relax

> Prepare ASE geometry-optimization workflow tasks with backend-agnostic controls. Use when the user needs structural relaxation while selecting optimizer, convergence target, constraints, and output trajectory policy independently of calculator backend.

- Skill: `jinzhezenggroup/relax-6` (Agent Skill)
- Install (CLI): `npx skillmds@latest add jinzhezenggroup/relax-6`
- Raw SKILL.md: https://api.skillmd.com/api/skills/jinzhezenggroup/relax-6/raw
- Safety review: pending
- Works with: Claude Code, Claude.ai, OpenAI Codex
- Category: Productivity
- License: MIT
- Author: jinzhezenggroup (https://skillmd.com/u/jinzhezenggroup)
- Updated: 2026-09-17
- Page: https://skillmd.com/skills/jinzhezenggroup/relax-6

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# ASE Relax Workflow (Subskill)

## Scope

This subskill prepares relaxation workflow tasks only.

It should generate:

- optimizer workflow script (`BFGS`/`FIRE` etc.)
- convergence policy (`fmax`, max steps)
- constraints and trajectory/log policy

## Must provide

- structure input
- selected backend adapter
- optimizer choice
- force threshold and step limits

## Usually should be explicit

- fixed-atom/layer constraints
- stress-aware relaxation policy
- restart behavior

## Expected output

1. relax workflow script/layout
1. optimizer/convergence summary
1. assumptions and unresolved choices
1. handoff note to `dpdisp-submit` if execution is requested