Reference

• Theoretical Background
• Generating FODs: FODLego
  • Installation and Running
  • Sample Performance on Small Organic Molecules
  • Development Reference
• Input and Output Files
  • Input Files
  • Output Files
• NRLMOL_INPUT.DAT: Controlling a calculation
  • ATOMSPHV
  • BASISV
  • CALCTYPEV
  • DIAG1V
  • DIAG2V
  • POPULATIONV
  • RHOGRIDV
• Exchange-Correlation functionals
  • How to input the functionals?
• Basis sets: the ISYMGEN file
• FLOSIC Mesh
• Useful Scripts and Tools
  • Utility Codes Repo
  • Visualization Tools