[Ifeffit] Artemis warning after FEFF calculation---can't close GLOB filehandle

Xinyu Luo xinyuluo at zju.edu.cn
Wed Feb 9 06:38:09 CST 2022


Dear ifeffit memebers,

 

I received an Artemis warning after importing a CIF file into FEFF calculation as usual, which said, “Can’t close GLOB(…) filehandle at …” I first assumed it might be caused by some system errors. So I tried this CIF file on another PC and received a similar warning---can’t close a GLOB() filehandle. Also, I tried FEFF8 using Webatoms, but this still didn't work... Is that due to the CIF file itself or the software bug on my PC? I never met this situation before because it's always been very smooth to import a CIF file and generate atomic coordinates and paths before fitting... I don’t know how to handle this. 

The CIF file is attached. I appreciate any suggestions that might be helpful. Thank you for your time!

Xinyu Luo
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