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v3.6.5

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
  • 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) pipelines
  • Frequently Asked Questions
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