Complete list of FEFF8 control cards

From FEFF

The ‘feff.inp’ options fall into three categories: standard options frequently and easily used, useful options that are often used, and advanced options that are seldom necessary, but may be helpful in some cases. Every card in ‘feff.inp’ will influence the calculations, beginning in some module. Thus, for better understanding of how each module can be affected by the input cards, we list them separately for each module.

Contents

Brief description of Control Cards

Each description is of this form:

type

CARD required arguments [optional arguments]

The type is one of Standard, Useful, or Advanced. The argument list is a brief statement of the valid arguments to the card. Arguments in square brackets are optional. The text description will explain the arguments and their uses more fully. Example uses of the card look like this:

* brief description of the example
CARD arguments

Module 0 . . . RDINP

Purpose of Module: Read input data

Module 1 . . . POT: Scattering potentials

Purpose of Module: Calculate (self-consistent) scattering potentials and Fermi energy

Module 2 . . . XSPH: Cross-section and phase shifts

Purpose of Module: Calculate cross-section and phase shifts and LDOS

Module 3 . . . FMS: Full multiple scattering

Purpose of Module: Calculate full multiple scattering for XAS

  • Standard cards: FMS
  • Useful Cards: DEBYE
  • Advanced Cards:

Module 4 . . . PATHS: Path enumeration

Purpose of Module: Path enumeration

Module 5 . . . GENFMT: XAFS parameters

Purpose of Module: Calculate scattering amplitudes and other XAFS parameters

Module 6 . . . FF2CHI: XAFS spectrum

Purpose of Module: Calculate final output.


Input File Control Cards

Complete list of FEFF8 control cards

  1. Main Control Cards
  2. POT: Scattering potentials
  3. XSPH: Cross-section and phase shifts
  4. FMS: Full multiple scattering
  5. PATHS: Path enumeration
  6. GENFMT: XAFS parameters
  7. FF2CHI: XAFS spectrum

Back to FEFF Document Contents

developer's resources