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v3.8.0

Quick Start

  • Easy Installation
  • Two Quick Examples
  • Brief Introduction of the Input Files
  • Brief Introduction of the Output 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
    • TB2J
  • Detailed Introduction of the Input Files

Citing ABACUS

  • How to Cite

Developing Team

  • Development team

Community

  • ABACUS Contribution Guide
  • Contributing to ABACUS
  • Lists of continuous integration (CI) actions
  • Frequently Asked Questions
ABACUS
  • Interfaces to Other Softwares
  • Edit on GitHub

Interfaces to Other Softwares

Examples

  • DeePKS
  • DP-GEN
  • DeepH
  • Hefei-NAMD
  • Phonopy
  • Wannier90
  • ASE
  • PYATB
  • ShengBTE
  • CANDELA
  • TB2J
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