DFTB+ recipes

• Introduction
• Basic usage
  • First calculation with DFTB+
  • Band structure, DOS and PDOS
• Parallel usage of DFTB+
  • Introduction
  • Amdahl’s law
  • Gustafson’s law
  • Compiling the code
  • Benchmarking and scalability
• The first steps with Waveplot
  • Making a DFTB+ calculation
  • Running Waveplot
  • Visualising the results with VMD
• Licence