Published July 11, 2024
| Version v1
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HamGNN Si-600K training related files in the SLEM paper
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HamGNN Si-600K training related files in the SLEM paper (https://arxiv.org/abs/2407.06053v1)
NOTE: the unit in graph_data.npz file is Bohr/Hartree, and the format of Hamiltonian is ABACUS.