[Ifeffit] Path output with feff8l

西村真一 nishimura at g.ecc.u-tokyo.ac.jp
Mon Apr 4 17:21:15 CDT 2022


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 <newville at cars.uchicago.edu>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 <nishimura at chemsys.t.u-tokyo.ac.jp <mailto:nishimura at 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 at chemsys.t.u-tokyo.ac.jp <mailto:nishimura at 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
> 
> 
> 
> 
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> --Matt 
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