structure plot function not work

[tuheihei]

Hi, When I use the calculation.structure.plot to plot the CONTCAR or POSCAR, it gives out NGLWidget() but not a 3D view of a structure. Any help would be appreciated. Yi

[martin-schlipf]

Do you execute the code in a Jupyter notebook? Visualizing the structure requires a browser window.

[tuheihei]

Do you execute the code in a Jupyter Notebook? Visualizing the structure requires a browser window.

Thanks for the quick follow-up. Yes, the code was run in a Jupyter Notebook on a m1 MacBook. Other functions, including "dos.plot()" and "structure.print()", worked, while that of "structure.plot" malfunctioned, it read "NGLWidget()" or, sometimes, "NGLWidget(max_frame = 499). Any advice would be greatly appreciated.

[martin-schlipf]

Can you try

import nglview
nglview.demo()

to see whether the issue is with NGL or the py4vasp wrapper?

[tuheihei]

Can you try

import nglview
nglview.demo()

to see whether the issue is with NGL or the py4vasp wrapper? It returns"NGLWidget()" The issue indeed seems to be relative to NGL. So what can I do to fix this? Thanks

[martin-schlipf]

Okay, I will suggest a couple of more things you can try but if none of them work, I would suggest to post this in the nglview Github page.

• If you have not done so already, you can try to install py4vasp or nglview in a clean virtual environment. Please see here for how to do that and then install py4vasp within.
• Please check that the notebook you use is trusted; otherwise sometimes the execution of javascript code is blocked.
• Run the same code in a new notebook to make sure there is no state in the current notebook that causes this.
• Check whether any of the recommendations in the nglview repository work for you.