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
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@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@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit