Data provided by National Institute of Standards and Technology
This includes the code for the ThreeBodyTB.jl project as well as a set of Quantum Espresso density functional theory calculations used to fit the tight binding coefficients.
About this Dataset
Updated: 2026-09-19
Metadata Last Updated:
2025-09-16 00:00:00
Date Created:
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Dataset Owner:
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| Title | ThreeBodyTB.jl code for fast and accurate tight binding band structure and total energy calculations across the periodic table. |
|---|---|
| Description | This includes the code for the ThreeBodyTB.jl project as well as a set of Quantum Espresso density functional theory calculations used to fit the tight binding coefficients. |
| Modified | 2025-09-16 00:00:00 |
| Publisher Name | National Institute of Standards and Technology |
| Contact | mailto:[email protected] |
| Keywords | DFT , density functional theory , quantum espresso , tight-binding , first principles , pbesol , ThreeBodyTB.jl , jarvis |
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"fn": "Kevin Garrity"
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"landingPage": "https:\/\/github.com\/usnistgov\/ThreeBodyTB.jl",
"title": "ThreeBodyTB.jl code for fast and accurate tight binding band structure and total energy calculations across the periodic table.",
"description": "This includes the code for the ThreeBodyTB.jl project as well as a set of Quantum Espresso density functional theory calculations used to fit the tight binding coefficients.",
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"theme": [
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"Materials:Modeling and computational material science",
"Electronics:Semiconductors",
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"keyword": [
"DFT",
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