ask for help：Error in reading symmetry

[lyonworton]

Hello, I would like to report to you a problem encountered with rad-tools reading the output file of TB2J. When I use rad-plot-tb2j-magnons.py to read the TB2J output file exchange.out file, it always shows that the symmetry of the structure read is not what I want, but I double check the information in the exchange.out file, for example, the file shows that it's a HEX structure, but it always reads ORCC or MCL, what is wrong? I really hope you can give me guidance and help，Thanks！ result.zip

[adrybakov]

Hello!

Thank you for the interest in the package!

I will take a look in the following couple of days.

Could you tell which version do you use?

The following command should display the version (python or python3 - depending on your situation.):

python3 -c "exec('from radtools import __version__\nprint(__version__)')"

Does it help if you'll pass -bt HEX option? (if it crashes - please attach error output from console)

Best, Andrey

[lyonworton]

Hello, thank you for your quick reply, I checked and found that I am using radtools version 0.8.13. The example in the screenshot is using the file in the zip file I sent before, and the symmetry is supposed to be HEX, but it can't be recognized, and I don't know if there is something wrong with my operation or what is going on, so I would like to ask you for some advice.

[adrybakov]

Thank you for your replay!

It seems to be a bug on rad-tools side. I will try to solve it next week.

Best, Andrey

[adrybakov]

Hi!

The problem seems to be resolved in the release 0.9.0

Please update it with

pip install rad-tools --upgrade

and confirm whether the problem solved.

NOTE: in this release the naming convention for scripts was changed: ".py" was removed. I.e. the execution line should look as follows:

rad-plot-tb2j-magnons -if ...

Best, Andrey