Complete List of FEFF8 Control Cards

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.

Module 0
rdinp
Purpose of Module:
Read input data
Standard cards:
ATOMS, CONTROL, END, PRINT, and TITLE
Useful Cards:
RMULTIPLIER
Advanced Cards:
CFAVERAGE and OVERLAP
Module 1
pot
Purpose of Module:
Calculate (self-consistent) scattering potentials and Fermi energy
Standard cards:
AFOLP, EDGE, HOLE, POTENTIALS, and S02
Useful Cards:
EXCHANGE, FOLP, NOHOLE, RGRID, SCF, and UNFREEZEF
Advanced Cards:
INTERSTITIAL, ION, and SPIN
Module 2
xsph
Purpose of Module:
Calculate cross-section and phase shifts and $\ell $DOS
Standard cards:
EXAFS and XANES
Useful Cards:
ELLIPTICITY, LDOS, MULTIPOLE, and POLARIZATION
Advanced Cards:
DANES, FPRIME, RPHASES, RSIGMA, TDLDA, XES, and XNCD (or XMCD)
Module 3
fms
Purpose of Module:
Calculate full multiple scattering for XAS
Standard cards:
FMS
Useful Cards:
DEBYE
Advanced Cards:
Module 4
path
Purpose of Module:
Path enumeration
Standard cards:
RPATH
Useful Cards:
NLEG
Advanced Cards:
PCRITERIA and SS
Module 5
genfmt
Purpose of Module:
Calculate scattering amplitudes and other XAFS parameters
Standard cards:
Useful Cards:
CRITERIA
Advanced Cards:
IORDER and NSTAR
Module 6
ff2x
Purpose of Module:
Calculate final output.
Standard cards:
DEBYE
Useful Cards:
CORRECTIONS and SIG2
Advanced Cards:

These data types are listed below in the same order as in the table above. Each description is of this form:







Subsections