neb v0.1.0A

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---
name: neb
description: Prepare ASE NEB workflow tasks with backend-agnostic controls. Use when the user needs reaction-path optimization between initial/final states with explicit image construction, spring settings, and convergence controls.
compatibility: Requires ASE and a configured backend adapter from `ase/ase-calculators`.
license: MIT
catalog-hidden: true
metadata:
  author: qqgu
  version: 0.1.0
  repository: https://gitlab.com/ase/ase
---

# ASE NEB Workflow (Subskill)

## Scope

This subskill prepares NEB workflow tasks only.

It should generate:

- NEB workflow script with image setup
- optimizer/spring/convergence settings
- output policy for path and barriers

## Must provide

- initial and final structures
- selected backend adapter
- number of images
- optimizer and convergence policy

## Usually should be explicit

- interpolation policy
- climbing-image setting
- spring-constant policy

## Expected output

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