static

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,

SKILL.md

GitHub

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

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