Dielectric Response

Goal

To calculate the frequency-dependent dielectric response of a crystalline material using atomate2's OpticsMaker and VASP. This includes:

• The independent-particle real and imaginary dielectric functions
• Optical spectra written by the VASP optics workflow
• Post-processing and visualization of the dielectric response

This skill is based on atomate2's optics workflow, which is a flow maker analogous to the band structure workflow.

Instructions

1. Obtain or Prepare the Input Structure

Start with a well-relaxed crystalline structure in CIF or POSCAR format. You can: