BAND User's Guide - Contents

• LIST OF KEYWORDS
• PREFACE
  • Release 2000.02
• 1 GENERAL
  • 1.1 INTRODUCTION
    • Characterization of BAND
      • Functionality
      • Analysis
      • Technical
• 2 INPUT
  • 2.1 INTRODUCTION
    • Format of the Input file
    • Units
    • Energy and Potential XC Functionals
    • Examples
    • Setting up an Input File
    • Numerical Atoms, Basis functions, and Fit functions
  • 2.2 MAIN OPTIONS
    • Energy Functional
    • Precision
    • Self-consistency
    • Restarts
    • Reference and Startup Atoms
    • Printed Output
    • Fragments
    • More Analysis
• 3 RECOMMENDATIONS, PROBLEMS, QUESTIONS
  • 3.1 RECOMMENDATIONS
  • 3.2 TROUBLE SHOOTING
    • Basis set dependency
• 4 APPENDICES
  • 4.1 LIST OF KEYS
    • First List
      • Defaults and special cases
      • General remarks
    • Second List
    • Third List
  • 4.2 AUXILIARY INPUT FEATURES
• REFERENCES