FHI-AIMS: ValueError about effmass HOT 6 CLOSED

Hi Maria, can you tell me whether you installed with via pip or source code? It would also be great if you could attach your in- and output files for me to recreate the error.

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Hello. I am using effmas 2.1.0 and I installed it via pip.
I attach my inputs and outputs files.
Thank you in advance.
effmass_error.zip

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I just ran your files and it worked for me, so I assume that it is related to issue #38 - the fix is pushed to the repo already, but not yet in pip it seems. Can you try to clone the repo and install from source and let me know if that works for you?

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Hello. Cloning the repo and installing from the source worked for me.
Thank you for your help.

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That's great to hear!

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Thanks @MatthiasGolomb for the fix and @MariaEstRo for flagging the problem up. Apologies it has taken me a little time to update the changes on PyPI, but the latest version (2.2.0) is uploaded now, so this problem should be fixed with the latest version downloaded with pip install effmass. I'm closing the issue.

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