static

name	static
description	Prepare ABINIT single-point (static) task inputs from a user-provided structure and essential DFT settings. Use when the user needs total-energy/electronic SCF evaluation with explicit ABINIT cutoff, k-point, and SCF controls.
compatibility	Requires a user-provided structure, suitable pseudopotentials, and runnable ABINIT environment.
license	MIT
catalog-hidden	true
metadata	{"author":"qqgu","version":"0.1.0","repository":"https://github.com/abinit/abinit"}

ABINIT Static (Subskill)

Scope

This skill prepares static tasks only.

It should generate:

• ABINIT input for static SCF
• pseudopotential mapping summary
• output/restart naming policy

It should not submit or execute jobs.

Must provide

• structure input
• XC functional choice
• cutoff and k-point policy
• SCF convergence policy

Usually should be explicit

• charge/spin setup
• smearing/occupancy policy for metallic systems
• mixing/iteration controls

Expected output

1. static-task input layout
2. settings summary and assumptions
3. unresolved choices for confirmation
4. handoff note to dpdisp-submit if execution is requested