Dataset for "Flexible and efficient semi-empirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures"
From MaRDI portal
Dataset:6706362
DOI10.5281/zenodo.14778741Zenodo14778741MaRDI QIDQ6706362
Dataset published at Zenodo repository.
Author name not available (Why is that?)
Publication date: 31 January 2025
Copyright license: No records found.
This is the dataset for "Flexible and efficient semi-empirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures". It contains: Slater Koster files Hierarchical Structured Data (HSD) format file for generating theSlater Koster files Spin constants STO coefficientsand exponents
This page was built for dataset: Dataset for "Flexible and efficient semi-empirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures"
