Contents

 

• Synopsis
• Input File Controls
  • Complete list of FEFF8 control cards
  • Main Control Cards
  • POT: Scattering potentials
  • XSPH: Cross-section and phase shifts
  • FMS: Full multiple scattering
  • PATHS: Path enumeration
  • GENFMT: XAFS parameters
  • FF2CHI: XAFS spectrum
• Output Files
  • Input and Output Files
  • Descriptions of output files
    • Intermediate output files
    • Diagnostic files from XSPH
    • Main output data
    • Variables in the EXAFS formula
  • Program control using intermediate output files
    • Using 'path00.dat'
    • Using 'list.dat'
• Calculation Strategies and Examples
  • General comments
  • EXAFS calculation
    • SF Molecule
    • Solids
      • Cu metal
      • YBCO High-Tc superconductor
    • Estimate of S
    • Configuration averaging over absorbers
    • Adding self-consistency
  • XANES calculations
    • Additional difficulties
    • GeCl Molecule
    • Solid
    • Absolute cross-section
• Copyright Information, Restrictions and License
  • Restrictions and license information
  • ADDENDUM: Government Copyrights
• Installation Instructions
  • UNIX
  • MS-DOS, Win9x, and Win-NT
  • Macintosh
  • VMS
  • NeXT
• References
• Code Variables and Dimensions
• Changes From FEFF 7
• Trouble-Shooting FEFF Problems
• Advanced applications
  • Spin dependent calculations
    • General description
    • XMCD
    • SPXAS
• About this document ...