[Ifeffit] Running Feff in Artemis -- More info
Bruce Ravel
ravel at phys.washington.edu
Wed Aug 11 12:16:09 CDT 2004
On Wednesday 11 August 2004 12:34 pm, dmc at pdx.edu wrote:
> I have tried to 'Run Feff' several times. Including several of the Cu
> database files one your suggestion. Every time, I 'run Atoms' without a
> hitch and then when I 'run Feff' I get the error message: There are no
> feffNNNN.dat files...etc. The output window says: 'feff6' is not
> recognized as an internal or external command, operable program or batch
> file.
Aha! I think I see what the problem is. In the ifeffit distribution,
the feff6 executable is called "feff6l". This is different from the
default when ifeffit is built on a unix machine. In that case, the
executable is called "feff6".
Artemis tries to be smart and have that variable which contains the
name of the feff executable default to "feff6l" on windows and "feff6"
everywhere else. It seems something went awry for you, which is
mildly alarming. I'll have to look into that.
In any case, I think the problme will be relatively easy to solve.
Click on the Settings menu and then on "Edit preferences". In the
preferences dialog, click on the little plus sign next to "Feff" then
on the "feff_executable" entry in the list. Change the value to read
"feff6l" (without the quotes!). Click the "Save changes" button and
then see if things work correctly.
All of this presumes that you have files called "feff6.exe" and
"feff6.bat" in the folder where Ifeffit was installed, which is
porbably C:\Program Files\Ifeffit\. If those don't exist, then the
problems run deeper. If you have another version of feff on your
computer, you can set the feff_executable variable to the fully
resolved file name (i.e. C:\what\ever\feff.exe or some such).
Let us know if that solves the problem!
B
--
Bruce Ravel ----------------------------------- ravel at phys.washington.edu
Code 6134, Building 3, Room 405
Naval Research Laboratory phone: (1) 202 767 2268
Washington DC 20375, USA fax: (1) 202 767 4642
NRL Synchrotron Radiation Consortium (NRL-SRC)
Beamlines X11a, X11b, X23b
National Synchrotron Light Source
Brookhaven National Laboratory, Upton, NY 11973
My homepage: http://feff.phys.washington.edu/~ravel
EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/
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