neb

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
2. image/convergence summary
3. assumptions and unresolved choices
4. handoff note to dpdisp-submit if execution is requested