Deep neural networks for density functional theory Hamiltonian.

Extended DeepH (xDeepH) method for magnetic materials.

DeepH-dock: Integrating deep learning into first-principles calculations

The documentation of DeepH-pack, the latest iteration of DeepH, unites all the preceding DeepH methodologies into a cohesive package. This advanced version has been meticulously rewritten with JAX, enhancing its efficiency and capabilities.

DFT软件编译使用手册. This project aims to learn DFT packages from the start, like FHI-aims, ABACUS, and so on.