a full-potential all-electron package implementing linearized augmented planewave methods


This tool, written in Python, allows for calculating optical coefficients in layered anisotropic materials. The user can set different parameters (e.g., direction and polarization of the incoming light, thickness of the sample, etc.) to mimic an experimental setup.

LayerOptics post-processes macroscopic dielectric tensors computed with exciting. Offering a user-friendly layout, it can, however, also be easily interfaced to any ab initio code computing dielectric tensors.

An introduction for the usage of this tool can be found in the publication below.


How to cite LayerOptics:

C. Vorwerk, C. Cocchi, and C. Draxl, Layer Optics: Microscopic modeling of optical coeffcients in layered materials, Comp. Phys. Commun. 201, 119-125 (2016). DOI