Dear all, I have used Larch ver 0.9.59/0.9.58 on Linux for XAFS data processing and analysis. The scripting features are pretty helpful in our study. In the EXAFS analysis, I met a strange behavior of a function. The feff8l function does not generate the "feffNNNN.dat" files like Feff6l. This behavior is different from that in the web document (13.7.1.2). What is the best way to import the paths from the output of feff8l? Or is there any way to generate the "feffNNNN.dat" files with feff8l? I will appreciate your help. Best wishes, Shinichi ——————————————————— Shin-ichi NISHIMURA, Ph.D nishimura@chemsys.t.u-tokyo.ac.jp Atsuo YAMADA Group, Department of Chemical System Engineering, Graduate School of Engineering, The University of Tokyo Yamada Lab., Engineering Bldg.#3-5C08, 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-8656, Japan
Hi Shinichi,
Make sure your feff.inp file for Feff8 has
CONTROL 1 1 1 1 1 1
PRINT 1 0 0 0 0 3
EXAFS 20.0
and it will calculate the classic FeffNNNN.dat files.
On Sun, Apr 3, 2022 at 11:25 PM 西村 真一
Dear all,
I have used Larch ver 0.9.59/0.9.58 on Linux for XAFS data processing and analysis. The scripting features are pretty helpful in our study.
In the EXAFS analysis, I met a strange behavior of a function. The feff8l function does not generate the "feffNNNN.dat" files like Feff6l. This behavior is different from that in the web document (13.7.1.2).
What is the best way to import the paths from the output of feff8l? Or is there any way to generate the "feffNNNN.dat" files with feff8l?
I will appreciate your help.
Best wishes, Shinichi ——————————————————— Shin-ichi NISHIMURA, Ph.D nishimura@chemsys.t.u-tokyo.ac.jp
Atsuo YAMADA Group, Department of Chemical System Engineering, Graduate School of Engineering, The University of Tokyo
Yamada Lab., Engineering Bldg.#3-5C08, 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-8656, Japan
_______________________________________________ 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
--Matt
Dear Matt, Thank you for your prompt response. I got feffNNNN.dat files by setting the PRINT level of FF2CHI. Best wishes, Nishimura
2022/04/04 21:17、Matt Newville
のメール: Hi Shinichi,
Make sure your feff.inp file for Feff8 has
CONTROL 1 1 1 1 1 1 PRINT 1 0 0 0 0 3 EXAFS 20.0
and it will calculate the classic FeffNNNN.dat files.
On Sun, Apr 3, 2022 at 11:25 PM 西村 真一
mailto:nishimura@chemsys.t.u-tokyo.ac.jp> wrote: Dear all, I have used Larch ver 0.9.59/0.9.58 on Linux for XAFS data processing and analysis. The scripting features are pretty helpful in our study.
In the EXAFS analysis, I met a strange behavior of a function. The feff8l function does not generate the "feffNNNN.dat" files like Feff6l. This behavior is different from that in the web document (13.7.1.2).
What is the best way to import the paths from the output of feff8l? Or is there any way to generate the "feffNNNN.dat" files with feff8l?
I will appreciate your help.
Best wishes, Shinichi ——————————————————— Shin-ichi NISHIMURA, Ph.D nishimura@chemsys.t.u-tokyo.ac.jp mailto:nishimura@chemsys.t.u-tokyo.ac.jp
Atsuo YAMADA Group, Department of Chemical System Engineering, Graduate School of Engineering, The University of Tokyo
Yamada Lab., Engineering Bldg.#3-5C08, 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-8656, Japan
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov mailto:Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
--Matt _______________________________________________ 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
participants (3)
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Matt Newville
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西村 真一
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西村真一