2022/04/04 21:17、Matt Newville <newville@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@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


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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