Bug report: Application crashed with ValueError

[cpignedoli]

Automated report

This issue was created with the app's automated bug reporting feature.
Attached to this issue is the full traceback as well as an environment
fingerprint that contains information about the operating system as well as all
installed libraries.

Additional comments (optional):

In the demo server I did bulk gold, primitive cell, with spin-orbit coupling. Once the calculation was completed, I went to the PDOS tab. Selecting "Orbitals" or "Angular momentum" results in the crash.

Attachments

Traceback

ValueError                                Traceback (most recent call last)
/opt/conda/lib/python3.9/site-packages/aiidalab_qe/common/bandpdoswidget.py in _update_plot(self, _)
    745                 clear_output(wait=True)
    746             else:
--> 747                 self.pdos_data = self._get_pdos_data()
    748                 self.bands_data = self._get_bands_data()
    749                 self.bandsplot_widget = BandPdosPlotly(

/opt/conda/lib/python3.9/site-packages/aiidalab_qe/common/bandpdoswidget.py in _get_pdos_data(self)
    703         )
    704         if syntax_ok:
--> 705             pdos = get_pdos_data(
    706                 self.pdos,
    707                 group_tag=self.dos_atoms_group.value,

/opt/conda/lib/python3.9/site-packages/aiidalab_qe/common/bandpdoswidget.py in get_pdos_data(pdos, group_tag, plot_tag, selected_atoms)
    977     # Updata labels if plot_tag is different than total
    978     if plot_tag != "total":
--> 979         data_dict = update_pdos_labels(data_dict)
    980     #    data_dict = deepcopy(new_dict)
    981 

/opt/conda/lib/python3.9/site-packages/aiidalab_qe/common/bandpdoswidget.py in update_pdos_labels(pdos_data)
   1443             - pdos_data (dict): Updated PDOS data with correct orbital labels.
   1444     """
-> 1445     original_labels, orbital_dict = get_labels_radial_nodes(pdos_data)
   1446     orbital_assignment = assign_orbital_labels(orbital_dict)
   1447     updated_labels = get_new_pdos_labels(original_labels, orbital_assignment)

/opt/conda/lib/python3.9/site-packages/aiidalab_qe/common/bandpdoswidget.py in get_labels_radial_nodes(pdos_dict)
   1309             continue  # Malformed label
   1310 
-> 1311         radial_node = int(radial_orbital[0][1:])  # Extract radial index from 'r#'
   1312         orbital = radial_orbital[1][0]  # Orbital type ('s', 'p', 'd', 'f')
   1313 

ValueError: invalid literal for int() with base 10: '=<sup>+1</sup>/<sub>2</sub>'

Environment fingerprint

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By submitting this issue I confirm that I am aware that this information can
potentially be used to determine what kind of calculation was performed at the
time of error.

[edan-bainglass]

Thanks @cpignedoli. @AndresOrtegaGuerrero could you take a look at this?

[AndresOrtegaGuerrero]

@cpignedoli are you using the main (latest commit) branch ? I cannot reproduce your problem for Au with SOC .

[AndresOrtegaGuerrero]

I will close this , the latest status of the app doesnt present this error