[Ifeffit] Autobk parameters

[Stefano Ciurli]

Hi Bruce,

>Oh yeah.  The feff run should produce a file called "chi.dat".  That's
>a good one to use as a standard.  Matt's ifeffit recipe for converting
>a feffNNNN.dat file into a chi(k) works, too.

when I run feff, I do not get any chi.dat file. Why? I tried to use 
artemis to do that, but right now the new version I installed crashes 
when I try to read in a feff calculation (which btw I performed on 
something that should be similar to my metal site and was about to 
use it for standard...) The trap message states:


# Artemis 0.7.004
# This file created at 12:59:30 on 27 May, 2004
# using darwin, perl 5.008001, Tk 804.027, and Ifeffit 1.2.5
# Workspace: /Users/stefano/.horae/stash/artemis.project.0/



The following message was trapped by Artemis on a SIGDIE:

Artemis0.7.004die/Users/stefano/.horae/stash/ARTEMIS.TRAPCODE(0x1e38760)/Users/stefano/.horae/stash/artemis.project.0/ 
at /Applications/Ifeffit/bin/artemis line 1550
	main::__ANON__('Callback called exit.\x{a}') called at 
/Applications/Ifeffit/bin/artemis line 0

Stefano

PS: I am using the OSX 10.3 version
-- 
____________________________________________

Stefano Ciurli
Professor of Chemistry
Department of Agro-Environmental Science and Technology
University of Bologna
Viale Giuseppe Fanin, 40
I-40127 Bologna
Italy
Phone:	+39-051-209-6204
Fax:	+39-051-209-6203

"Fatti non foste a viver come bruti,
ma per seguir virtute e canoscenza"
Dante Alighieri - Inferno - Canto XXVI