Chargement en cours...
Database of Wannier tight-binding Hamiltonians using high-throughput density functional theory
Wannier tight-binding Hamiltonians (WTBH) provide a computationally efficient way to predict electronic properties of materials. In this work, we develop a computational workflow for high-throughput Wannierization of density functional theory (DFT) based electronic band structure calculations. We ap...
Enregistré dans:
| Publié dans: | Sci Data |
|---|---|
| Auteurs principaux: | , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Nature Publishing Group UK
2021
|
| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8044170/ https://ncbi.nlm.nih.gov/pubmed/33850146 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41597-021-00885-z |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|