Published December 30, 2024 | Version v1

Wannier interpolation of reciprocal-space periodic and nonperiodic matrix elements in the optimally smooth subspace

  • 1. ROR icon University of Trento
  • 2. CNRS

Description

Dataset relative to the publication

"Wannier interpolation of reciprocal-space periodic and nonperiodic matrix elements in the optimally smooth subspace"

Giulio Volpato, Stefano Mocatti, Giovanni Marini, and Matteo Calandra

Phys. Rev. B 111, 035105 – Published 2 January, 2025

DOI: https://doi.org/10.1103/PhysRevB.111.035105

The dataset contains the following folders:

  • Pseudo: all the pseudopotentials used;
  • Figures: All the data and script to reproduce the figures reported in the manuscript;
  • Fign: Simulation data referred to the nth figure of the manuscript.

The dataset contains also the preprint version of the manuscript (preprint.pdf).

Files

Volpato_PhysRevB_2024_.zip

Files (5.8 GB)

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md5:9cdb20e019658e7da41384c8b62f5539
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Additional details

Funding

European Commission
DELIGHT - Discovering light-induced phases by first-principles material design 101052708