mat-dielectric-response
OfficialCompute dielectric spectra from VASP
Authorlearningmatter-mit
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill helps you calculate the frequency-dependent dielectric response of a crystalline material, turning atomistic inputs into dielectric functions and plots.
Core Features & Use Cases
- Run atomate2 OpticsMaker + VASP to compute frequency-dependent dielectric tensors (independent-particle response) and produce optics workflow outputs.
- Generate publication-ready plots by post-processing VASP/atomate2 outputs to visualize real and imaginary dielectric response, including diagonal tensor components for anisotropic systems.
- Validate and troubleshoot outputs by checking for frequency-dependent dielectric sections in vasprun.xml and OUTCAR content.
Quick Start
Run the atomate2 optics workflow for your relaxed structure and then generate the average dielectric-function plot using the provided plot script.
Dependency Matrix
Required Modules
None requiredComponents
scripts
💻 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: mat-dielectric-response Download link: https://github.com/learningmatter-mit/AtomisticSkills/archive/main.zip#mat-dielectric-response Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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