Dear Matt, Thanks for your answer! I tested the same .cif on another computer and works fine, even if it is an older version, 0.9.65. On the computer I had a problem, I have 0.9.67. I reinstalled Larch completely and now works fine. Thanks for taking the time to work on Larch, Best regards.
(^ㅇᆽㅇ^)(=˃ᆺ˂=)(=🝦 ༝ 🝦=) Eugenio H. OTAL Assistant Professor Dept. of Materials Chemistry Shinshu University 4-17-1 Wakasato, Nagano 380-8553, JAPAN eugenio_o...@shinshu-u.ac.jp https://sites.google.com/view/zettsu-laboratory/news-updates On Fri, Mar 24, 2023 at 11:08 PM Matt Newville <newvi...@cars.uchicago.edu> wrote: > Hi Eugenio, > > Sorry for the trouble. For sure, interpreting CIF files can be tricky! > But, I can read that CIF file with XAS Viewer, larch version 0.9.67. It > doesn't fully read all the data about the publication, and it can generate > a plausible Feff.inp file. > Can you verify that you have a fairly recent version? > > I see that there are Unicode characters in the file, but these seem to me > to be UTF-8 compatible. If you are still seeing trouble, this might be > part of the problem. You might have better luck if you remove these > (specifically the line with "_chemical_name_structure_type", which I > think you can just remove). If that *does* help, can you also report > what your default Unicode encoding is: from either Python or the Larch > buffer in XAS Viewer, do > > import sys > print(sys.getdefaultencoding()) > > > Unfortunately, the current code is not super helpful in reporting why it > couldn't read the CIF file - this should be improved! > > > > On Fri, Mar 24, 2023 at 2:20 AM Otal Eugenio <eugenio_o...@shinshu-u.ac.jp> > wrote: > >> Hi all, >> In November I was generating the feff-path in Larch using the .cif file I >> attached. >> Now I am generating additional paths from another absorbing atom and I am >> getting the error message "Error opening .cif file" using the same .cif >> file. >> Any ideas? >> Best regards. >> >> >> >> (^ㅇᆽㅇ^)(=˃ᆺ˂=)(=🝦 ༝ 🝦=) >> >> Eugenio H. OTAL >> Assistant Professor >> Dept. of Materials Chemistry >> Shinshu University >> 4-17-1 Wakasato, Nagano 380-8553, JAPAN >> eugenio_o...@shinshu-u.ac.jp >> https://sites.google.com/view/zettsu-laboratory/news-updates >> >> _______________________________________________ >> Ifeffit mailing list >> Ifeffit@millenia.cars.aps.anl.gov >> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit >> Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit >> > > > > _______________________________________________ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit >
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