electronic

Name: electronic
Author: jinzhezenggroup

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How to install electronic?

jinzhezenggroup/computational-chemistry-agent-skills/electronic

$npx -y skills add jinzhezenggroup/computational-chemistry-agent-skills --skill electronic

Installs into the current project.

Summary

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.

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SKILL.md

1	# ABINIT Electronic Analysis (Subskill)
2
3	## Scope
4
5	This skill prepares post-ground-state electronic-analysis tasks.
6
7	It should:
8
9	- verify prerequisite converged context
10	- prepare analysis-specific input controls
11	- report assumptions and unresolved choices
12
13	It should not submit or execute jobs.
14
15	## Prerequisites
16
17	Require explicit prior converged context compatible with requested analysis.
18
19	If prerequisites are missing, stop and ask for them.
20
21	## Must provide
22
23	- source context path
24	- analysis intent (for example DOS/PDOS/band-like workflow)
25	- mesh/path/resolution policy as applicable
26
27	## Usually should be explicit
28
29	- projection settings
30	- broadening/plotting policy
31	- export format expectations
32
33	## Expected output
34
35	1. analysis-stage input updates
36	1. prerequisite check summary
37	1. settings summary and assumptions
38	1. handoff note to `dpdisp-submit` if execution is requested

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