Advanced

Contents

• Hetero-structure
  • Auxiliary functions
  • Build the model
• Quasi-crystal
• Fractal
  • Top-down approach
  • Bottom-up approach
  • Build the model
• Strain and external fields
  • Functions for strain
  • Functions for external fields
  • Initial wave functions
  • Propagation of wave function
• Quasi-eigenstates
  • Exact eigenstates
  • Quasi-eigenstates
• Plot 3D wavefunction
  • H2 molecule
  • Hydrogen chain
  • Graphene
• Analytical Hamiltonian
• Non-orthogonal basis set
• Parallelization
  • Controlling the parallelization
  • Optimal parallelization setup
  • Visualization and I/O
  • Example scripts for SLURM
• Miscellaneous
  • Backend for diagonalization
  • GPU computation
  • Reading existing data