[Ifeffit] Using FEFF8 with Artemis

[Kropf, Arthur Jeremy]

Try PRINT 5 2 0 3 0 3.  That may not help understand the problem, but
feff8.28 interfaces to Artemis just fine for me using those settings.

Jeremy

Chemical Engineering Division
Argonne National Laboratory
Argonne, IL 60439

Ph: 630.252.9398
Fx: 630.252.9917
kropf at cmt.anl.gov
 

> -----Original Message-----
> From: ifeffit-bounces at millenia.cars.aps.anl.gov 
> [mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] On Behalf 
> Of Ravel, Bruce D.
> Sent: Thursday, May 24, 2007 1:12 PM
> To: XAFS Analysis using Ifeffit
> Subject: Re: [Ifeffit] Using FEFF8 with Artemis
> 
> On Thursday 24 May 2007, Scott Calvin wrote:
> > After opening Artemis, I choose "New Feff input template," and then 
> > "Import feff.inp." I choose the feff.inp file from the 
> folder where I 
> > ran Feff. I ask for just the first path, and I get an error (this 
> > one's taken from the pc):
> 
> Hey Scott,
> 
> I see the same problem using the two files you sent.  My best 
> guess for the source of the problem is that Artemis is not 
> finding the "files.dat" and "paths.data" (or possibly 
> "path00.dat") files in the same place as the "feff.inp" and 
> "feffNNNN.dat" files.  Artemis needs those files to build the 
> interpretation page and does not handle their absence gracefully.
> 
> It is my intention that Artemis work with a Feff8 calculation 
> and I believe that people do so.  I am suspicious that this 
> is as much a documentation bug as a programming bug.
> 
> If you think this is not the problem, then I'll need you to 
> zip up the entire directory containing the feff calculation 
> and send the zip file to me.
> 
> B
> 
> 
> --
>  Bruce Ravel  ---------------------------------------------- 
> bravel at 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/exafs/
> 
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