diff --git a/README.md b/README.md index b0419ca..7703c01 100644 --- a/README.md +++ b/README.md @@ -1,5 +1,12 @@ # DPNEGF +> ⚠️ **IMPORTANT NOTICE** +> +> **[English]** +> This repository is no longer actively maintained. `dpnegf` has officially joined the **Deepmodeling** open-source community! All future development, updates, and maintenance (including GPU support and performance optimizations) will take place in our new repository. +> 👉 **Please visit our new home: [deepmodeling/dpnegf](https://github.com/deepmodeling/dpnegf)** +> + **DPNEGF** is a Python package that integrates the Deep Learning Tight-Binding (**DeePTB**) approach with the Non-Equilibrium Green’s Function (**NEGF**) method, establishing an efficient quantum transport simulation framework **DeePTB-NEGF** with first-principles accuracy. By using DeePTB-SK or DeePTB-E3—both available within the DeePTB package—DeePTB-NEGF can compute quantum transport properties in open-boundary systems with either environment-corrected **Slater-Koster TB Hamiltonian** or **linear combination of atomic orbitals (LCAO) Kohn-Sham Hamiltonian**.