Sorry, the attached prj file was wrong.
I newly attached the right files.
Kug-Seung Lee
------------ 원본 메일 내용 ------------
보낸 사람 : "이국승"<lks3006@postech.ac.kr>
받는 사람 : ifeffit@millenia.cars.aps.anl.gov
메일 제목 : [Ifeffit]_Mn3O4 EXAFS fitting
보낸 날짜 : Mon, 01 Jun 2015 15:59:40 +0900
Dear all,
I am trying to fit Mn3O4 exafs data (Mn K-edge).
I got the atoms.input file from The Atoms.inp archive.
The sample was a commercial Mn3O4 powder sample.
The Mn-O first shell (path denoted as O1.1) was not fitted using the default degeneracy 4.0.
The degen 1.0 - 2.0 was likely better, which is too small.
In addition, several paths for outer shells go weird. That is, sigma squared become negative.
Whatever I changed, the situation did no get better.
I fixed the S02 values to 8.0.
Attached are the athena and artemis files that I am using.
Could anyone help me to fit it right?
Kug-Seung Lee
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