Re: [Ifeffit] Path output with feff8l

[西村真一]

Dear Matt,

Thank you for your prompt response.
I got feff.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 Feff.dat files.
> 
> 
> On Sun, Apr 3, 2022 at 11:25 PM 西村 真一  > 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 "feff.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 "feff.dat" files with feff8l?
> 
> I will appreciate your help.
> 
> Best wishes,
> Shinichi
> ———
> Shin-ichi NISHIMURA, Ph.D
> nishim...@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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Re: [Ifeffit] Path output with feff8l

[Matt Newville]

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 Feff.dat files.


On Sun, Apr 3, 2022 at 11:25 PM 西村 真一 
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 "feff.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 "feff.dat" files with feff8l?
>
> I will appreciate your help.
>
> Best wishes,
> Shinichi
> ———
> Shin-ichi NISHIMURA, Ph.D
> nishim...@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
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[Ifeffit] Path output with feff8l

[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 "feff.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 "feff.dat" files with feff8l?

I will appreciate your help.

Best wishes,
Shinichi
———
Shin-ichi NISHIMURA, Ph.D
nishim...@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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