[Ifeffit] Re: Ifeffit Digest, Vol 20, Issue 22
Michel Jaouen
Michel.Jaouen at univ-poitiers.fr
Mon Oct 25 03:51:22 CDT 2004
Yongsheng,
> > I did encounter that "No absorbing atom (ipot=0) defined" error
>> sometimes, but I run Artemis only after I have feff calculations
>> done.
>
>I don't understand whether Feff ran to completion or not. Are you
>saying that you made a successful run of Feff (including real
>output files) but that Artemis still failed to read this
>calculation? That seems pretty strange.
>
>> By the way, I use FEFF8.
>
>For Feff8, I believe you need to be much more careful about line
>endings. It's not able to use Windows line-endings on unixes, for
>example.
Artemis works fine for me (on a Mac) with feff8: just ask in the menu
for Import feff calculation and choose the folder where is your feff8
calculation where you must have:
feff.inp
feffXXX.dat files
files.dat
paths.dat
BUT ALL files must be Unix!
Following Matt's advice, use BBEdit Lite (that's free or if you had
some money buy BBEdit (the last vesrion is 8): that is really a very
good Editor (the best for me) on Mac. Then open your files, check the
option button and select Unix for Line Breaks.
Best regards
Michel
--
__________________________________________
Michel Jaouen
Universite de Poitiers - UFR Sciences - SP2MI
LMP UMR 6630-CNRS
Boulevard Pierre et Marie Curie - Teleport 2
BP 30179
86962 Futuroscope - Chasseneuil Cedex
France
Tel : (33) 5 49 49 67 37
Fax : (33) 5 49 49 66 92
e-mail : Michel.Jaouen at univ-poitiers.fr
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