User Guide

• Installation
  • Conda Installation
  • Using Docker or Singularity Images
    • Introduction to Container Technology
    • Downloading Pre-built Docker/Singularity Images
    • Building REST Images
    • Converting Docker Images to Singularity
  • Building from Source
• Input Card Structure
  • Molecular structure
  • Basis sets
• SCF
• DFT Settings
  • Method
  • Grid
• Post-Processing
• GW/BSE
• Geometry Optimization