pymatgen-electronic-structure
CommunityAnalyze pymatgen electronic structure data easily.
AuthorHongyu-yu
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Parse and analyze electronic-structure outputs from pymatgen.electronic_structure to produce band structures, DOS, COHP/COOP data, and ready-to-plot visuals.
Core Features & Use Cases
- Band structure & DOS analysis: parse VASP/DFT outputs and generate publication-ready band structure and DOS plots.
- COHP/COOP handling: access and plot bonding data derived from COHP/COOP analyses.
- Workflow support: end-to-end utilities from raw outputs to figures and data exports for materials projects.
Quick Start
Analyze vasprun.xml or similar outputs to generate a DOS plot with BSPlotter.
Dependency Matrix
Required Modules
pymatgennumpymatplotlib
Components
scriptsreferences
💻 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: pymatgen-electronic-structure Download link: https://github.com/Hongyu-yu/matsci-ai-skills/archive/main.zip#pymatgen-electronic-structure Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
Agent Skills Search Helper
Install a tiny helper to your Agent, search and equip skill from 510,000+ vetted skills library on demand.