Hi Matt, I did encounter that "No absorbing atom (ipot=0) defined" error sometimes, but I run Artemis only after I have feff calculations done. By the way, I use FEFF8. Thanks everybody for your kind help. I am afraid I can not do more test now since I am leaving tomorrow for Argonne for more XAFS experiments. Will check back if the problem remains after I have tried what you have suggested. Have a good weekend. Yongsheng
---------- From: ifeffit-bounces@millenia.cars.aps.anl.gov on behalf of Matt Newville Reply To: XAFS Analysis using Ifeffit Sent: Friday, October 22, 2004 2:20 PM To: ravel@phys.washington.edu; XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Artimis
Hi,
On Friday 22 October 2004 4:38 pm, Chen, Yongsheng wrote:
Thanks for your advices. I did edit my Feff.inp in Word, but did not have any problems with the old version.
It is certainly possible to do so, but you MUST be careful to save the file as text. Because it is so easy to forget and just save in whatever format Word decides to use, I always discourage people from using Word for that purpose.
Actually, Feff6 (and ifeffit) handle Unix and Windows line endings just fine, but do have a harder time with Mac line-endings. I'm not sure I know how to fix this: As far as I can tell it's at the level of the fortran's read() statement. Sorry.
One thing that confuses me is that Feff6 *should* have reported a Feff 6L.02 Fatal Error: No absorbing atom (ipot=0) defined
which could have been used as a clue that something went wrong. I don't know how artemis checks if a feff run went OK.
Hey Mac users! Could someone suggest a simple editor that Yongsheng, a new Mac user, should consider for the task of editing the kinds of text files that Feff and similar programs work with?
TextEdit can save file with Unix-style line endings, especially if you set the default to using 'Plain text' in the Preferences menu.
BBedit is a popular and very good editor for Mac OS X.
--Matt
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