Guide

• Tools
• Path
• Setup
  • Load Structure
  • Initialization
• Convergence
  • Cell parameters:
  • Setting the Muffin Tin Size
  • K point and RKMax convergence
• Density of States
• TELNES3
  • Monopole effects
• Core Hole
• Density Calculations
  • Xcrysden
  • Critic2
• Common Errors/Issues Encountered in Wien2k
  • Setting RMT/RKMax
  • Ghostbands
  • NN in Optimization
  • NR and NT
  • GMax Value less than Gmin
  • Ordering