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. 2023 May 18;14:2848. doi: 10.1038/s41467-023-38468-8

Table 1.

MAEs of DFT Hamiltonian matrix elements averaged over atom pairs for monolayer graphene and MoS2, all in units of meV.a

Graphene MoS2
C-C Mo-Mo Mo-S S-Mo S-S
DeepH 2.1 1.3 1.0 0.8 0.7
DeepH-E3 0.40 0.51 0.46 0.45 0.37

aThe best result of each target is marked as bold. For MoS2, there are four different types of atom pairs whose MAEs are listed separately.