Electronic

Prepare ABINIT electronic-analysis task inputs from prior converged context. Use when the user requests post-ground-state electronic analyses and needs prerequisite-aware setup.

jinzhezenggroup Updated

File contents

ABINIT Electronic Analysis (Subskill)

Scope

This skill prepares post-ground-state electronic-analysis tasks.

It should:

  • verify prerequisite converged context
  • prepare analysis-specific input controls
  • report assumptions and unresolved choices

It should not submit or execute jobs.

Prerequisites

Require explicit prior converged context compatible with requested analysis.

If prerequisites are missing, stop and ask for them.

Must provide

  • source context path
  • analysis intent (for example DOS/PDOS/band-like workflow)
  • mesh/path/resolution policy as applicable

Usually should be explicit

  • projection settings
  • broadening/plotting policy
  • export format expectations

Expected output

  1. analysis-stage input updates
  2. prerequisite check summary
  3. settings summary and assumptions
  4. handoff note to dpdisp-submit if execution is requested

jinzhezenggroup/computational-chemistry-agent-skills/tree/main/quantum-chemistry/dft-abinit/electronic commit e1ffdc9b8b

Frequently asked questions

npx skillmds@latest add jinzhezenggroup/electronic-2