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No output #1

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tavanfran opened this issue Feb 8, 2023 · 1 comment
Open

No output #1

tavanfran opened this issue Feb 8, 2023 · 1 comment

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@tavanfran
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Dear ParamGulp developers,

I recently read your paper on ParamGulp and I was interested in using your software.
I have some problems in running the code:
I tried example2 and I did

python3 paramgulp.py --method all --input_file example2.inp --gulp_path ../../gulp-5.2/Src

but in the output folder I get only the .gin files and not the output files. In the .gin file there are the parameters I set in the .inp file and not the fitted one.

What do I have to do now to have the fit? Do I have to run GULP directly or ParamGulp? and if so, which command? Am I doing something wrong?

I appreciate very much your help.

@alamhri
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alamhri commented Jun 22, 2023

I am also facing similar issues with ParamGulp.
I tried to reproduce the results for RFeO3. I tried:
python3 paramgulp.py --method all --input_file /home/qnt/alamk/gulp/ParamGULP/examples/RFeO3/FIT_PARAM/RFeO3.inp --gulp_path /home/qnt/alamk/gulp/gulp-5.0/Src/gulp

It is generating .gout and .gin files but not the analysis.txt and points.txt. output.txt is also not being generated. In the .gin file the initial parameters are present instead of fitted ones.

Your help would be much appreciated.

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