Category:Structural Information Cards

From FEFF

The ATOMS card is used to specify the absorbing atom and its environment. Alternatively, if atomic coordinates are not known, then the OVERLAP card can be used to construct approximate potentials. Without the structural information of either ATOMS or OVERLAP card, no calculations can be done.


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 "Structural Information Cards"

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