[Ifeffit] EXAFS modules

Joshua Kas joshua.j.kas at gmail.com
Tue Jun 14 12:30:48 CDT 2011


Hi Francisco,
This depends on which version of FEFF you are using. The following shows the
executables needed for EXAFS in feff9 and feff8. The names are different,
so I have put the corresponding module in parentheses.

FEFF9                        FEFF8
rdinp                           rdinp
atomic                        ffmod1 (atomic and pot)
pot                             ffmod2 (xsph)
xsph                          ffmod4 (path)
path                           ffmod5 (genfmt)
genfmt                       ffmod6 (ff2x)
ff2x

Cheers,
Josh Kas



>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Mon, 13 Jun 2011 12:22:16 -0700
> From: Francisco Garcia <garcia.ff.000 at gmail.com>
> To: ifeffit at millenia.cars.aps.anl.gov
> Subject: [Ifeffit] EXAFS modules
> Message-ID: <BANLkTimTXXPzOh-sFoYaq_kE3v0pq4BAYA at mail.gmail.com>
> Content-Type: text/plain; charset=ISO-8859-1
>
> Dear users,
>
> Which of the following modules are needed to compute only the EXAFS
> spectra (that is, chi.dat)?:
>
> ipot
> ixsph
> ifms
> ipaths
> igenfmt
> iff2x
>
> Thank you.
>
>
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