Published January 20, 2023
| Version 1
Dataset
Open
Dataset3 for "General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian"
Authors/Creators
- 1. Peking University
- 2. Tsinghua University
Description
Supporting data for the paper "General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian".
Contains atomic structures and Hamiltonian matrices of bilayer bismuth telluride.
Detailed descriptions about the format of data and instructions on how to reproduce the results in the paper can be found in README.md.
Files
Bi2Te3_dataset_nosoc.zip
Files
(25.5 GB)
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md5:f8d2d763cc605407d5529f7f8d093e81
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3.3 GB | Preview Download |
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md5:e38df1bcf18db99e47fac986ba594d5c
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21.9 GB | Preview Download |
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md5:c30922e6d1299bdb8a20432bc3197b6a
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28.9 MB | Preview Download |
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md5:9ec2911bf84b8ef29d83fb8ce94da740
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192.3 MB | Preview Download |
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md5:df1813549f7a3d0999f39abd29a40a94
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9.6 kB | Preview Download |
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md5:1ea3e5299808c063cd378ce7cdf693cc
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4.1 kB | Preview Download |