Dataset for Non-equilibrium BN-ZnO: Optical properties and excitonic effects from first principles

Xiao Zhang & André Schleife
This is the description file for the published data in the work [doi will be inserted once it’s published]. The calculations are performed in Vienna Ab initio Simulation Package (VASP) thus the inputs and outputs files are in VASP format. Some part of the calculations use our own code that is not published. The data for publication is structured as follows: 1. Data for structural relaxation: This folder contains the relevant inputs (VASP INCAR, KPOINTS,...
This data repository is not currently reporting usage information. For information on how your repository can submit usage information, please see our documentation.