Hey, It's been a busy week. I just posted another new tarball. This fixes: 1. The bug Norbert reported in Athena's file selection dialog (this bug does not exist in the current build of the windows executable, so there is not pressing need to update it) 2. The problem Igor reported with importing project files from the previous version of the development branch of Artemis 3. A bug in the build scripts that resulted in not being able to use the Atoms page in the development branch of Artemis. New tarballs are at SourceForge and at my web site. As before, this release is mostly intended for people following the development branch of Artemis. Thanks to Norbert, Igor, and Carlo for their help. Hopefully this one will work better than the last two...... ;-) 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/
Hi guys, I have a few questions about the fitting parameters. the delR for my fit has a negative value. Is that wrong or its possible to have a negative value?? and also for the first shell, I have 2 values of del E. Does that mean that the model I am using is not a good one?? Thanks for all your help Ritika
delR is just the deviation from the distance you used in the feff.inp file to generate the paths. It can be positive or negative depending on whether these atoms are closer or further away from the central atom. By delE, do you mean Eo? When you say two values, do you mean different values for two different shells? Carlo On Wed, 13 Oct 2004, ritika.uppal@yale.edu wrote:
Hi guys, I have a few questions about the fitting parameters. the delR for my fit has a negative value. Is that wrong or its possible to have a negative value?? and also for the first shell, I have 2 values of del E. Does that mean that the model I am using is not a good one??
Thanks for all your help Ritika _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
-- Carlo U. Segre -- Professor of Physics Associate Dean for Special Projects, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 Carlo.Segre@iit.edu http://www.iit.edu/~segre
I have 3 different values of Eo for the fit. 2 for the first shell and
the 3rd for the rest of the paths. Actually the bond distance of the 6
oxygens in the first shell differs. 3 of them have a bond length of
around 1.9 A and the other 3 around 2.2 A. So using one value of Eo
does not fit the second peak very well.
Ritika
Quoting "Carlo U. Segre"
delR is just the deviation from the distance you used in the feff.inp file to generate the paths. It can be positive or negative depending on
whether these atoms are closer or further away from the central atom.
By delE, do you mean Eo? When you say two values, do you mean different values for two different shells? Carlo
On Wed, 13 Oct 2004, ritika.uppal@yale.edu wrote:
Hi guys, I have a few questions about the fitting parameters. the delR for my fit has a negative value. Is that wrong or its possible to have a negative value?? and also for the first shell, I have 2 values of del E. Does that mean that the model I am using is not a good one??
Thanks for all your help Ritika _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
-- Carlo U. Segre -- Professor of Physics Associate Dean for Special Projects, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 Carlo.Segre@iit.edu http://www.iit.edu/~segre _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Hi, Could someone volunteer to add an entry to section 8 of the FAQ about using e0 parameters? That would fill a gap in the FAQ and answer Ritika's question at the same time. 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/
participants (4)
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Bruce Ravel -
Bruce Ravel -
Carlo U. Segre -
ritika.uppal＠yale.edu