static

name	static
description	Prepare SIESTA 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 SIESTA mesh, basis, and SCF controls.
compatibility	Requires a user-provided structure, compatible pseudopotentials, and runnable SIESTA environment.
license	MIT
catalog-hidden	true
metadata	{"author":"qqgu","version":"0.1.0","repository":"https://gitlab.com/siesta-project/siesta"}

SIESTA Static (Subskill)

Scope

This skill prepares static tasks only.

It should generate:

• SIESTA input (for example .fdf)
• pseudopotential mapping summary
• output/restart naming policy

It should not submit or execute jobs.

Must provide

• structure input
• XC functional choice
• basis quality policy
• mesh cutoff and SCF convergence policy
• k-point policy for periodic systems

Usually should be explicit

• charge/spin setup
• mixing/iteration controls
• electronic temperature/smearing policy when relevant

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