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Quick Start

Easy Installation
Two Quick Examples
Brief Introduction of the Input Files

Advanced

Advanced Installation Options
Running SCF
Basis Set and Pseudopotentials
Geometry Optimization
Molecular Dynamics
Accelerate Performance
Electronic Properties and Outputs
Interfaces to Other Softwares
- DeePKS
- DP-GEN
- DeepH
- Hefei-NAMD
- Phonopy
- Wannier90
- ASE
- PYATB
- ShengBTE
- CANDELA
Detailed Introduction of the Input Files

Citing ABACUS

How to Cite

Developing Team

Development team

Community

ABACUS Contribution Guide
Contributing to ABACUS

Frequently Asked Questions

Interfaces to Other Softwares
Edit on GitHub

Interfaces to Other Softwares

Examples

DeePKS
DP-GEN
DeepH
Hefei-NAMD
Phonopy
Wannier90
ASE
PYATB
ShengBTE
CANDELA

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