Running FEFF for EELS

From FEFF

To calculate EELS, you need to add either the ELNES card or the EXELFS card to your `feff.inp' input file.

The EELS calculations use the machinery that is at the heart of feff to calculate spectra for each polarization component: either full multiple scattering, or path expansion (or both). So `feff.inp' needs to contain :

FMS 7.0
ELNES ...

to use the full multiple scattering, or, to use the path expansion:

RPATH 8.0
EXELFS ...

For EELS calculations, the polarization vector is an internal variable that is set by feff itself. Therefore, the POLARIZATION card cannot be used. If the card is present, feff should give a warning and ignore it.

Similarly, the beam direction is given by the input parameters of an ELNES/EXELFS card. It is not allowed to use the ELLIPTICITY card when an EELS card is present. Again, if it is used, feff should complain and ignore it.

The FPRIME and DANES cards will work in combination with an ELNES/EXELFS card. Combination with other spectroscopy cards (XANES, EXAFS, XES) should make feff complain.

The CONTROL and PRINT cards do not have an additional field for the eels module. Execution of the EELS module is governed by the presence of an ELNES/EXELFS card in `feff.inp' (or by the corresponding switch in `eels.inp'). The output level can not be modified at this time, except through the MAGIC card.

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