DFTkit-learn

This project aims to learn DFT packages from the start, like FHI-aims, ABACUS, and so on.

language support: Chinese only

Available packages

DeepModeling (doing)

• ABACUS (doing)
• DeepH (doing)

NOMAD@FHI

• FHI-aims

Kwant

• Kwant

Quantum ESPRESSO (planning)

Wannier90 (planning)

VASP (planning)