Re: [Ifeffit] Issues with Athena on high-performance systems

HI Nils, My laptop has i5 (2.4GHz)/Intel/16GB running win7prox64 and I have no issues, even with the first plot. How many files are you trying to plot? I test with just one and everything works fine. -R. On 6/25/2015 9:06 AM, Nils Skoglund wrote: Hi, I’m curious if anyone else is

Re: [Ifeffit] Reference for Setting k range in EXAFS analysis

Hi Navneet, You have asked a rather open-ended question. There are numerable resources available for learning about XAFS analysis that are straightforward to find. Setting the k-range is more specific and governed by several factors. The range chosen affects resolution and precision. In

Re: [Ifeffit] Ca EXAFS with Ge220 or InSb111 (Lisa Bovenkamp)

Another possibility is that the L-edges of In and Sb are giving considerable energy-dependence to the beam in the EXAFS region...any non-linearity between detectors will make extraction of the EXAFS problematic. Looking at CAMD's XAS beamline mono specs

Re: [Ifeffit] FEFF calculation for two inequivalent absorbing sites

Hi Eugenio, Quick question: Did you change the tags for the Co atoms so that they are different? If I do that, I get 4 and 6 coordinate results. you can import the cif file twice, run atoms on both sites (with tags different) and get the two feff inputs for running. -R. On Thu, Apr 9, 2015 at

Re: [Ifeffit] Exploring XANES data for getting EXAFS results

of a particular metal), R, N, and formal valence state are not independent quantities. --Matt ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit -- Dr. Robert Gordon Staff Scientist, CLS@APS

Re: [Ifeffit] D-Atoms program, common positions and occupancies

-- Dr. Robert Gordon Staff Scientist, PNCSRF APS Sector 20 9700 S. Cass Ave. 435E Argonne, IL, USA 60439 630-252-0581 ph 630-252-0580 fax ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

Re: [Ifeffit] Correct Crystallographic parameters for Todorokite EXAFS fit

: Correct Crystallographic parameters for Todorokite EXAFS fitting in Artemis (Robert Gordon) -- Message: 1 Date: Thu, 06 Feb 2014 16:05:30 -0600 From: Robert Gordon ragor...@alumni.sfu.ca

Re: [Ifeffit] Correct Crystallographic parameters for Todorokite EXAFS fitting in Artemis

/mailman/listinfo/ifeffit -- Dr. Robert Gordon Staff Scientist, PNCSRF APS Sector 20 (PNC/XSD) 9700 S Cass Ave. 435E Argonne, IL, USA 60439 630-252-0581 630-252-0580 fax todorokite.pdf Description: Adobe PDF document ___ Ifeffit mailing list Ifeffit

Re: [Ifeffit] Demeter not working on Windows 8.1 64bit

help to others if you did this --Matt ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit -- Dr. Robert Gordon Staff Scientist, PNCSRF APS Sector 20 (PNC/XSD) 9700 S Cass Ave. 435E

Re: [Ifeffit] Demeter not working on Windows 8.1 64bit

for a clean install these plots, and gnuplot doesn't plot if no xrange. If I reset, then I can move around and use DAthena 9.19 without issue...DArtemis is still an unhappy DHuntress with fpj files... On 1/14/2014 3:28 PM, Bruce Ravel wrote: On 01/14/2014 04:11 PM, Robert Gordon wrote: Hi Matt

Re: [Ifeffit] error in ATOMS

@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit -- Dr. Robert Gordon Staff Scientist, PNCSRF APS Sector 20 (PNC/XSD) 9700 S Cass Ave. 435E Argonne, IL, USA 60439 630-252-0581 630-252-0580 fax ___ Ifeffit mailing list Ifeffit

Re: [Ifeffit] modeling significant defects and molecules

___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit -- Dr. Robert Gordon Staff Scientist, PNCSRF APS Sector 20 (PNC/XSD) 9700 S Cass Ave. 435E Argonne, IL, USA 60439 630-252-0581 630-252-0580 fax

Re: [Ifeffit] (D) Atoms crashing while running feff

HI Matt, That cif file is an old version of the structure. I can get DArtemis to crash if I use it too, but if I shift the origin by -1/8, -1/8, -1/8 it works. No crash when running Feff. Some more recent references for the structure: http://rruff.geo.arizona.edu/AMS/minerals/Hercynite Fd-3m

Re: [Ifeffit] data point limits in Athena?

Hi Jorg, Matt is on to the problem...Too many numbers... I deleted columns 2 - 58. Working with columns labelled Ioni1,2 and 3 was ok, with little problem reading it in to Athena 0.9.17 even with the 2460 lines. I say little because it does take several seconds on my system for Athena to read in

<    1   2