Running Feff in Artemis -- More info
Hi guys, Thanks for the help, I'm sorry I wasnt completely clear. I thought there might be an easy answer and there still may. I will elaborate. 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. I am indeed operating in Windows. I do have the latest updated for Ifeffit. The Feff.INP file does get created in this directory: C:\Ifeffit\horae\stash\artemis.project.3\data0.feff0 It is 6 KB. Maybe this helps some, I will look at some more of your comments to see if I can figure it out. Thanks Again, Dan
On Wednesday 11 August 2004 12:34 pm, dmc@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@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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dmc＠pdx.edu