Esmael, Eun-Suk, Thanks. Yes, you do need to click on the Feff. inp tab for the “Run Feff” button to be enabled. That encourages one to recognize that one does not run Feff from a CIF file, but from a Feff file with a cluster of atoms that may
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Esmael, Eun-Suk,

 

Thanks.  Yes, you do need to click on the Feff.inp tab for the “Run Feff” button to be enabled.  That encourages one to recognize that one does not run Feff from a CIF file, but from a Feff file with a cluster of atoms that may have been generated from that CIF.  You can also edit the settings in the Feff input file there before running Feff.

 

For all: if you are having trouble using a particular CIF file, please try uploading it to https://larixite.seescience.org/   If it works there,  it should also work with Larix.  And please send the CIF file that is giving you trouble.

 

--Matt

 

 

From: Esmael Balaghi via Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Date: Saturday, June 7, 2025 at 10:13 AM
To: XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>, 정은석 via Ifeffit <ifeffit@millenia.cars.aps.anl.gov>, XAFS Analysis using Ifeffit <ifeffit@millenia.cars.aps.anl.gov>
Cc: Esmael Balaghi <esmael.balaghi@fit.uni-freiburg.de>
Subject: [Ifeffit] Re: [EXTERN] FEFF does not generate feff.inp from cif

Hi Eun-Suk, I’ve seen this issue before, sometimes the Run Feff button doesn’t activate even though everything else seems correctly loaded. One workaround that usually works for me is to click through the tabs in order, especially: 1-D XRD Pattern

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Hi Eun-Suk,

I’ve seen this issue before, sometimes the Run Feff button doesn’t activate even though everything else seems correctly loaded. One workaround that usually works for me is to click through the tabs in order, especially:

1-D XRD Pattern
Feff Input Text
Feff Output Text, etc...

Just navigating through these tabs seems to trigger the GUI to recognize that the CIF is there and settings are properly loaded, and then the "Run Feff" button becomes clickable.

Hope this helps.

Best,
Esmael

 

On June 7, 2025 1:47:07 PM GMT+02:00, "정은석 via Ifeffit" <ifeffit@millenia.cars.aps.anl.gov> wrote:

Hello~  all I opened the cif file in CIF Browser. I couldn't make feff. inp in this Browser. In a previous version, feff. inp was generated. However, it isn't now. What is the problem? I installed xraylarch in anaconda virtual system as

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Hello~  all

 

I opened the cif file in CIF Browser. I couldn't make feff.inp in this Browser. In a previous version, feff.inp was generated. However, it isn't now. What is the problem?

 

I installed xraylarch in anaconda virtual system as following:

 

(base) C:\>conda update --all
(base) C:\>conda create --name xraylarch
(base) C:\>conda activate xraylarch
(xraylarch) C:\>conda install -c conda-forge python=3.9.10   
(xraylarch) C:\>pip install torch 
(xraylarch) C:\>conda install -y -c conda-forge wxPython pymatgen scipy h5py matplotlib 
(xraylarch) C:\>conda install -y -c conda-forge openbabel tomopy
(xraylarch) C:\>pip install epicsapps
(xraylarch) C:\>pip install xraylarch  
(xraylarch) C:\>larch -m  

 

I have been using Window 10 system

 

Best regards,

 

Eun-Suk Jeong