static · v0.1.0 · 2026-03-24 · sha256 f3d40adec5ff22d6
static v0.1.0A
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--- 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 1. settings summary and assumptions 1. unresolved choices for confirmation 1. handoff note to `dpdisp-submit` if execution is requested