next up previous contents
Next: Main Control Cards Up: Input File Controls Previous: Input File Controls

Complete list of FEFF8 control cards


 

The list of '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 or helpful. Every card in 'feff.inp' file will influence the calculations, starting from some module. Thus for better understanding how each module can be affected by the input cards, we list three categories (standard, useful, and advanced) for each module separately.

Module 0
-------- RDINP
Purpose of Module:
Read input data
Standard cards:
ATOMS, CONTROL, PRINT, and TITLE
Useful Cards:
END, NOGEOM, and RMULTIPLIER
Advanced Cards:
CFAVERAGE and OVERLAP
Module 1
-------- POT
Purpose of Module:
Calculate (self-consistent) scattering potentials and Fermi energy
Standard cards:
POTENTIALS, S02
Useful Cards:
EXCHANGE, NOHOLE, RGRID, and SCF
Advanced Cards:
AFOLP, FOLP, INTERSTITIAL, ION, and SPIN
Module 2
-------- XSPH
Purpose of Module:
Calculate cross-section and phase shifts and tex2html_wrap_inline3197DOS
Standard cards:
EXAFS, XANES, EDGE and HOLE,
Useful Cards:
ELLIPTICITY, POLARIZATION, and LDOS
Advanced Cards:
RPHASES
Module 3
-------- FMS
Purpose of Module:
Calculate full multiple scattering for XANES
Standard cards:
FMS
Useful Cards:
DEBYE
Advanced Cards:
 
Module 4
-------- PATHS
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
-------- FF2CHI
Purpose of Module:
Calculate EXAFS or XANES spectra
Standard cards:
DEBYE
Useful Cards:
CORRECTIONS and SIG2
Advanced Cards:
&nsbp;

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

 CARD    argument list    (type)


The type is one of Standard, Useful, or Advanced. The argument list is a brief statement of the valid arguments to the card. 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  argument list

next up previous contents
Next: Main Control Cards Up: Input File Controls Previous: Input File Controls
John J. Rehr
Thu Jul 1 14:31:17 PDT 1999