FEFF Files


Any FEFF calculation produces a large number of files that may be confusing to the novice. The most important files are the master input file `feff.inp', which we discussed at length in the previous chapter ; the output file `xmu.dat', which contains the XAS spectrum ; and the various `log*.dat' files, which are of course log files written by feff during execution. These basic files are also readily accessible in the GUI, where the input options corresponding to `feff.inp' are set in the interface; the log information scrolls by in a pop-up screen after feff is launched ; and the XAS spectrum is displayed by selecting 'plot'.

The GUI plotter can also display other output files ; however, for full flexibility the use of a plotting package like gnuplot is recommended.

FEFF creates a variety of output files depending on the spectroscopy type selected by the user, and depending on verbosity settings. See the PRINT card to obtain various diagnostic files. feff also writes several intermediate files. Some of these group relevant settings from `feff.inp' and program defaults for each of feff's program modules. These files, called `pot.inp', `xsph.inp' and so on, can be manipulated by the expert user who knows what she is doing, see Section 4.3. However we advise that novice users always work through `feff.inp' to avoid mistakes.

Section 4.1 summarizes data flow. The rest of this section describes selected files in more detail.

  1. Module Input and Output Files
  2. Descriptions of output files
    1. Main output data
    2. Intermediate output files
    3. Diagnostic files
    4. Variables in the EXAFS and XANES formulae
  3. Program control using intermediate output files

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