Input file generator for first-principles calculations (cif2x)

• 1. Introduction
  • 1.1. What is cif2x?
  • 1.2. License
  • 1.3. Contributors
  • 1.4. Release history
  • 1.5. Copyright
  • 1.6. Operating environment
• 2. Installation and basic usage
• 3. Tutorial
  • 3.1. Prepare an input parameter file
  • 3.2. Generating input files
  • 3.3. Specifying parameter sets
• 4. Command reference
  • 4.1. cif2x
• 5. File format
  • 5.1. Input parameter file
  • 5.2. Parameters for Quantum ESPRESSO
  • 5.3. Parameters for VASP
  • 5.4. Parameters for OpenMX
  • 5.5. Parameters for AkaiKKR
• 6. Extension guide
  • 6.1. Adding modes of Quantum ESPRESSO
• A tool to retrieve crystallographic data from databases (getcif)
  • 1. Introduction
  • 2. Tutorial
  • 3. Command reference
  • 4. File format
  • 5. Parameter List