Hi! I recently had to install ifeffit software package on our network computer. The first time I ran Artemis I was asked to update which I did. However, Artemis did not start after that. The error message that I got is shown in the attached figures artemis-error1a and 1b. Please note that only Artemis doesn't work, all the other softwares (Athena, Hephaestus, TKAtoms etc.) work fine. I tried running the .bat file from the Ifeffit folder but that didn't work either. I also tried to run the artemis.exe file and received the error shown in figure "artemis-error2". Later I unisntalled and re-installed Ifeffit and chose not to do the updates and Artemis is now running fine. I was wondering if anyone has any idea why this is so or if there is a way around installing the updates and still being able to use Artemis??? Thanks, Zohair
On Sunday 22 May 2005 22:45, Zohair Hussain wrote:
I recently had to install ifeffit software package on our network computer. The first time I ran Artemis I was asked to update which I did. However, Artemis did not start after that. The error message that I got is shown in the attached figures artemis-error1a and 1b. Please note that only Artemis doesn't work, all the other softwares (Athena, Hephaestus, TKAtoms etc.) work fine.
I tried running the .bat file from the Ifeffit folder but that didn't work either. I also tried to run the artemis.exe file and received the error shown in figure "artemis-error2".
Later I unisntalled and re-installed Ifeffit and chose not to do the updates and Artemis is now running fine.
I was wondering if anyone has any idea why this is so or if there is a way around installing the updates and still being able to use Artemis???
Two of the screenshots you sent have to do with a known problem in the latest version of Artemis for windows. I fixed it last week and there should be an updater package released this week. The screenshot that complains about not finding the elam.db file suggests one of two problems. Possibility #1 is that the various .bat files did not get built correctly. Possibility #2 is that you tried to run the .exe file rather than .bat file. The codes require that certain environment variables are set correctly in order to run. We decided that we did not want to write to the registry, so we use the .bat files to set the environment correctly before firing up the executables. Consequently, if you try to run the .exe files directly, it is guaranteed to fail. Run the .bat files instead. B -- Bruce Ravel ----------------------------------- bravel@anl.gov -or- ravel@phys.washington.edu Environmental Research Division, Bldg 203, Room E165 Argonne National Laboratory phone: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://feff.phys.washington.edu/~ravel EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/
Hi Bruce, It might be nice if, when "open many files" is used in Athena, it didn't stop trying to open subsequent files when it finds one with fewer than 10 points (or maybe it gave you the option to keep trying with the subsequent files in the list). --Scott Calvin Sarah Lawrence College
Hi all, I just ran a feff calculation using feff6L and got a result that surprised me a little. I was modelling a ferrite with a nickel and boron substituted for iron in a small fraction of sites. Here's part of files.dat: file sig2 amp ratio deg nlegs r effective feff0010.dat 0.00000 2.706 2.000 3 3.7141 feff0011.dat 0.00000 26.472 20.000 3 3.7141 feff0012.dat 0.00000 4.038 2.000 3 3.7141 and the corresponding part of the paths.dat: 10 3 2.000 index, nleg, degeneracy, r= 3.7141 x y z ipot label rleg beta eta -3.126710 1.042240 1.042240 1 'Ni ' 3.4567 150.5039 0.0000 -1.146460 1.146460 1.146460 3 'O ' 1.9857 58.9923 0.0000 0.000000 0.000000 0.000000 0 'Fe ' 1.9857 150.5039 0.0000 11 3 20.000 index, nleg, degeneracy, r= 3.7141 x y z ipot label rleg beta eta 1.042240 -3.126710 1.042240 2 'Fe ' 3.4567 150.5039 0.0000 1.146460 -1.146460 1.146460 3 'O ' 1.9857 58.9923 0.0000 0.000000 0.000000 0.000000 0 'Fe ' 1.9857 150.5039 0.0000 12 3 2.000 index, nleg, degeneracy, r= 3.7141 x y z ipot label rleg beta eta -1.042240 3.126710 1.042240 4 'B ' 3.4567 150.5039 0.0000 -1.146460 1.146460 1.146460 3 'O ' 1.9857 58.9923 0.0000 0.000000 0.000000 0.000000 0 'Fe ' 1.9857 150.5039 0.0000 So here's the question. These three paths are identical except for the identity of one of the scattering atoms. The degeneracy of the path with boron and the path with nickel is the same. Why is the feff amplitude ratio for the boron-containing path higher than that of the nickel-containing path? Shouldn't nickel scatter more strongly? And yes, I double-checked...the potentials are defined correctly in the feff.inp file. --Scott Calvin Sarah Lawrence College
On Friday 24 March 2006 13:01, Scott Calvin wrote:
So here's the question. These three paths are identical except for the identity of one of the scattering atoms. The degeneracy of the path with boron and the path with nickel is the same. Why is the feff amplitude ratio for the boron-containing path higher than that of the nickel-containing path? Shouldn't nickel scatter more strongly? And yes, I double-checked...the potentials are defined correctly in the feff.inp file.
Scott, I am inclined to side with Jeremy and Feng. One might be surprised by how quick-n-dirty the amplitude calculation is. If memory serves (and who knows how likely *that* is), feff computes the complex chi(k) using plane waves, which is a very quick calculation. It then adds up the magnitude of the complex chi(k) at 4 points. That's it. The amplitude is never meant to be more than a guide to eye. As you well know, to know how each path contributes to the data, you actually need to plot them or -- better -- do a fit. B -- Bruce Ravel ---------------------------------------------- bravel@anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/
Hi all, Does anyone out there have an iron(IV) XANES spectrum? I would very much appreciate it... --Scott Calvin Sarah Lawrence College
participants (4)
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Bruce Ravel -
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Zohair Hussain