electronic
OfficialPrepare post-converged SIESTA electronic inputs.
Education & Research#band-structure#dos#siesta#input-preparation#electronic-analysis#pdos#converged-context
Authorjinzhezenggroup
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Prepare post-ground-state SIESTA electronic-analysis inputs from a previously converged context, ensuring prerequisites and compatible settings are in place.
Core Features & Use Cases
- Verify that a converged SIESTA context exists and is compatible with the requested analysis.
- Prepare analysis-specific input controls (DOS/PDOS/band-like workflows) and report assumptions.
- Do not submit or execute jobs; provide a handoff to the execution stage when requested.
Quick Start
Provide a converged Siesta context and the desired analysis (e.g., DOS, PDOS, or band-structure) to generate the post-ground-state electronic inputs.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: electronic Download link: https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/archive/main.zip#electronic Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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