Dataset for "Flexible and efficient semi-empirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures" (Q6706362)
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Dataset published at Zenodo repository.
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Dataset for "Flexible and efficient semi-empirical DFTB parameters for electronic structure prediction of 3D, 2D iodide perovskites and heterostructures" |
Dataset published at Zenodo repository. |
Statements
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
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31 January 2025
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