8. Sections of the Input File

• 8.1. The MAST section

• 8.2. The Structure section
  • 8.2.1. Structure by file
  • 8.2.2. Structure by specification
  • 8.2.3. Structure indexing (beta)
    • 8.2.3.1. NEB notes for structure indexing

• 8.3. The Scaling section
  • 8.3.1. Finite-size scaling

• 8.4. The Ingredients section
  • 8.4.1. Program-specific keywords
  • 8.4.2. Special MAST keywords
    • 8.4.2.1. Submission script keywords
    • 8.4.2.2. MAST control flow keywords
    • 8.4.2.3. VASP-specific keywords
    • 8.4.2.4. Structure manipulation keywords
    • 8.4.2.5. mast_xxx_method keywords
    • 8.4.2.6. mast_write_method keyword values
    • 8.4.2.7. mast_ready_method keyword values
    • 8.4.2.8. mast_run_method keyword values
    • 8.4.2.9. mast_complete_method keyword values
    • 8.4.2.10. mast_update_children_method keyword values
    • 8.4.2.11. Example Ingredients section

• 8.5. The Recipe section
  • 8.5.1. Syntax

• 8.6. The Personal Recipe section

• 8.7. The Defects section
  • 8.7.1. Charges for defects
  • 8.7.2. Phonons for defects

• 8.8. The NEB section
  • 8.8.1. Charges for NEBs
  • 8.8.2. Phonons for NEBs

• 8.9. The Chemical Potentials section

• 8.10. The Summary section