Tutorials

This page presents a collection of tutorials.

• 1. Model
  • 1.1 Structural information of the model
  • 1.2 Graphene
  • 1.3 Magic-angle graphene
  • 1.4 Nanotube
• 2. Thermodynamics
  • 2.1 Thermodynamic correction
    • 2.1.1 Theory
    • 2.1.1 Free gas
    • 2.1.2 Adsorbed gas
  • 2.2 Ab initio thermodynamics
    • 2.2.1 Theory
    • 2.2.2 Phase Diagrams (T-p)
    • 2.2.3 Phase Diagrams (T)
    • 2.2.4 Phase Diagrams (p)
• 3. Surface
  • 3.1 Structural information of surface
  • 3.2 Adsorption potential energy surface
    • 3.2.1 Generate model file
    • 3.2.2 Extract data
  • 3.3 Generate all surfaces with a given maximum Miller index