Category:XAFS spectrum

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FF2CHI: XAFS spectrum

The module FF2CHI constructs the XAS spectrum χ(k) or μ using the XAFS parameters described in Section 3.2.4 from one or more paths, including any FMS contributions. Single and multiple scattering Debye–Waller factors are calculated using, for example, the correlated Debye model. Output from this module is the total XAFS spectrum and optionally, the contribution to the XAFS from each path individually. Numerous options for filtering, Debye– Waller factors, and other corrections are available.

Control Card Categories

  1. Structural Information Cards
  2. Spectrum Information Cards
  3. General Cards
  4. POT: Scattering potentials
  5. XSPH: Cross-section and phase shifts
  6. FMS: Full multiple scattering
  7. PATHS: Path enumeration
  8. GENFMT: XAFS parameters
  9. FF2CHI: XAFS spectrum
  10. SFCONV: Spectral Function Convolution
  11. EELS: EELS spectrum

Articles in category "XAFS spectrum"

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