Marnik Bercx

Thanks a lot @bastonero! A couple of comments off the cuff: > The class has lots of methods: shall we put parts in one or more Mixin? Would these methods...

Might be good to separate this issue into ones for each section/module, or make a checklist here. Let's do this once all the modules are in place.

Thanks for reporting @Ezio-droid! Which version of QE are you running? Could you by any chance provide the output files of your calculations so I can have a look?

Using ASE works fine for me (if a bit slow). I also have the same error when trying to use xcrysden.

Note that I meant that if I try to use `verdi data structure show` in combination with xcrysden, this resulted in the error you showed above. The current instructions are...

@ramirezfranciscof would you still want to visualize the structure like this in the "Running calculations" section?

During a meeting on the "writing workflows" section, the idea was raised to also give the participants a full hands-on where they can work on writing their own work chain...

> I think it makes sense to keep both options as long as their purpose is clearly explained (which I will take care of). Sure, I agree it makes sense...

> That seems a rather tedious way of collecting this information. Can we use a zoom poll instead? Definitely! I'll prepare a Zoom poll for Group B, @ramirezfranciscof can prepare...

@ramirezfranciscof can you check that this is still the case when running the band structure work chain in "running calculations"?