[Ifeffit] running feff - a problem

[Matt Newville]

Hi Tamas, 

> I'm trying to run feff to do the feff paths calculation the same way I've
> done before (feff file from TkAtoms and the executable feff6l are in the
> same folder), and now it just doesn't want to work.
> Hitting feff6l causes the opening of the DOS window, but it closes
> immediately and doesn't do the calculation. Does anyone know what's the
> cause of this?
> (I have the updates version of Ifeffit and the updater, too.)

With 1.2.4(+ the updates), it should be that clicking on the feff6l batch
file brings up a dialog to browse for feff.inp, and then runs feff6l on
that file, in that directory.  I think this batch file could be copied
from C:\Program Files\Ifeffit (or whereever Ifeffit is installed) and
still run OK.  But I believe a shortcut to the executable (feff6l.exe) in
another directory will not work, as this executable needs to find DLLs to
run properly.  That's why there are the batch files.

If the proper environmental variables are set and the Ifeffit directory 
is in your path, the executable should run from a DOS command window.
You could add this to autoexec.bat (or look at feff6l.bat):
   SET IFEFFIT_DIR=C:\Program Files\Ifeffit
   SET PATH=%PATH%;%IFEFFIT_DIR%
   SET PGPLOT_DIR=%IFEFFIT_DIR%
   SET PGPLOT_DEV=/GW 

or set these environmental variables from the Control Panel (Generally
Control Panel -> Settings -> Advanced -> Environmental Variables, though
it does vary with versions of Windows).  Actually, for Feff6, only the
path needs to be set to include the Ifeffit directory.

Please let me know if these suggestions don't help enough to  get 
fef6l working for you...

--Matt