The Worked Example
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The Worked Example

A worked example of the use of the UWXAFS package is described in Appendix A of the autobk document and Appendix A of the feffit document. Please read those carefully before proceeding. Below are links to all of the individual files needed for the example.

Input files

  1. cu-atoms.inp: The atoms input file.
  2. auto1.inp: The first autobk input file.
  3. auto2.inp: The second autobk input file.
  4. fit1.inp: The first feffit input file.
  5. fit2.inp: The second feffit input file.
  6. ratio.inp: The ratio input file.
  7. suggest.inp: Suggestions for making feffit.inp files. See Appendix B of the feffit document.

Data files

  1. cu10k.dat Copper K-edge, 10 kelvin
  2. cu50k.dat Copper K-edge, 50 kelvin
  3. cu150k.dat Copper K-edge, 150 kelvin
  4. cutest.dat this file is equivalent to cuk.chi, output from autobk using auto1.inp, which is also part of the uwxafs 3.0 distribution
  5. stand.dat Data standard for ratio example
  6. unknown.dat Unknown data for ratio example

Feff paths

  1. cu-feff.chi Chi.dat file from feff, sum of following 12 paths
  2. feffcu01.dat Path 1
  3. feffcu02.dat Path 2
  4. feffcu03.dat Path 3
  5. feffcu04.dat Path 4
  6. feffcu05.dat Path 5
  7. feffcu06.dat Path 6
  8. feffcu07.dat Path 7
  9. feffcu08.dat Path 8
  10. feffcu09.dat Path 9
  11. feffcu10.dat Path 10
  12. feffcu11.dat Path 11
  13. feffcu12.dat Path 12

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