Examples

• Getting started
  • The input dictionary
  • Optional keys
  • Properties
  • Input example: VASP
  • Input example: dummy
  • The JobManager
• Getting started - command line interface
  • The input YAML
  • Command line interface
• VASP - Equation of State (EOS)
  • Running strucscan
  • The structure
  • The input dictionary
  • Running strucscan
• VASP - Surface energy
  • The structure
  • The input dictionary
  • Determining surface energy
• How to add new properties
• 1. Define your property
• Respect pre-requesites
• 2. Integrate your property in the workflow
  • 2. Post-processing: