EELS Files


This section describes the following files with more detail specific to EELS than Chapter 4.

  • Input Files:
is read by the eels module and determines what feff will actually do. Expert users can tweak this file directly. Basically, the file contains everything thats in the EELS and MAGIC cards. Of particular interest is the very first parameter, which determines whether eels is executed (=1) or not (=0), and also the parameters on the next line, which select the components (1-9) of the sigma tensor that will be calculated. These parameters are very important because other modules will check for the presence of `eels.inp' and the values of these parameters to determine their course of action! People who have done EELS and then want to do something else in the same working directory may want to set the execution switch to 0 (or comment the EELS card in `feff.inp' and rerun rdinp, which amounts to the same) to make sure none of the regular modules do anything special for EELS.
  • Output Files:
This contains the EELS spectrum. Its first column contains energy loss in eV, the second column the total spectrum, and the next columns contain the contribution to the total spectrum from each of the nine components of the cross section tensor.
This file is only written if the MAGIC card is present in feff.inp. It contains the collection angle in rad, the pi to sigma ratio, the pi and sigma components of the spectrum, and the total spectrum; all as a function of collection angle, evaluated at the energy loss set by the MAGIC card.
This file contains reports on the execution of the program. In particular, it contains a summary of the input options used. Most of the information in the file is also written to the screen during program execution.
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