[Ifeffit] Problem with cif files using Larch

[정은석]

The site in Mn and Ni in cif is same. It makes your problem.
 Make only Mn in cif. I mean that Mn instead of Ni is located.
 And run feff.  You can get the path related with Mn.
After that,  Make another structure in same cif, Ni instead of Mn. You can
get the path of Ni.
Then, use them

2024년 2월 15일 (목) 오후 3:36, Otal Eugenio <eugenio_otal at shinshu-u.ac.jp>님이 작성:

> Dear all.
> I am trying to generate the path for fitting Mn and Ni K edge at
> LiMn1.5Ni0.5O2 using cif files from ICSD.
> I receive this error:
>
>
>
>
>
>
>
> *Elements: ['Li', 'Mn', 'Ni', 'O']Sites: [2.08337619 6.16682619
> 6.08352381] Li:0.980Traceback (most recent calls last):  File
> "C:\Users\Me\xraylarch_2023_10\Lib\site-packages\larch\wxlib\cif_browser.py",
> line 447, in onShowCIF    sites = ['%d' % (i+1) for i in
> range(len(sites))]
>  ^^^^^^^^^^TypeError: object of type 'PeriodicSite' has no len()*
>
> I also attached the cif.
>
> Any hint to go forward?
>
> Best regards.
>
> (^ㅇᆽㅇ^)(=˃ᆺ˂=)(=🝦 ༝ 🝦=)
>
> Eugenio H. OTAL
> Assistant Professor
> Dept. of Materials Chemistry
> Shinshu University
> 4-17-1 Wakasato, Nagano 380-8553, JAPAN
> eugenio_otal at shinshu-u.ac.jp
> https://sites.google.com/view/zettsu-laboratory/news-updates
>
> ¯\_(ツ)_/¯¯\_(ツ)_/¯
>
> Who is John Galt?
>
> ¯\_(ツ)_/¯¯\_(ツ)_/¯
>
> _______________________________________________
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
> Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://millenia.cars.aps.anl.gov/pipermail/ifeffit/attachments/20240215/8846c188/attachment-0001.htm>