API

• Input Preparation
  • dfttk.vasp_input
• Running Calculations
  • dfttk.workflows
• Post-processing
  • dfttk.eos
  • dfttk.debye
  • dfttk.phonon
  • dfttk.thermal_electronic
  • dfttk.quasi_harmonic
• Configuration
  • dfttk.configuration
• Utilities
  • dfttk.data_extraction
  • dfttk.aggregate_extraction
  • dfttk.magnetism
  • dfttk.plotly_format