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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):
Co SOC, selection of "angular" in PDOS
Attachments
Traceback
~/.local/lib/python3.9/site-packages/aiidalab_qe/common/bands_pdos/model.py in fetch_data(self)
71self.bands_data =self._get_bands_data()
72ifself.pdos:
---> 73 self.pdos_data = self._get_pdos_data()
7475@property
~/.local/lib/python3.9/site-packages/aiidalab_qe/common/bands_pdos/model.py in _get_pdos_data(self)
92 )
93if syntax_ok:
---> 94 return get_pdos_data(
95self.pdos,
96 group_tag=self.dos_atoms_group,
~/.local/lib/python3.9/site-packages/aiidalab_qe/common/bands_pdos/utils.py in get_pdos_data(pdos, group_tag, plot_tag, selected_atoms)
152# Updata labels if plot_tag is different than total153if plot_tag !="total":
--> 154 data_dict = _update_pdos_labels(data_dict)
155# data_dict = deepcopy(new_dict)156
~/.local/lib/python3.9/site-packages/aiidalab_qe/common/bands_pdos/utils.py in _update_pdos_labels(pdos_data)
688- pdos_data (dict): Updated PDOS data with correct orbital labels.
689"""
--> 690 original_labels, orbital_dict = _get_labels_radial_nodes(pdos_data)
691 orbital_assignment = _assign_orbital_labels(orbital_dict)
692 updated_labels = _get_new_pdos_labels(original_labels, orbital_assignment)
~/.local/lib/python3.9/site-packages/aiidalab_qe/common/bands_pdos/utils.py in _get_labels_radial_nodes(pdos_dict)
554continue# Malformed label555
--> 556 radial_node = int(radial_orbital[0][1:]) # Extract radial index from 'r#'
557 orbital = radial_orbital[1][0] # Orbital type ('s', 'p', 'd', 'f')558ValueError: invalid literal for int() with base 10: ''
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potentially be used to determine what kind of calculation was performed at the
time of error.
The text was updated successfully, but these errors were encountered:
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):
Co SOC, selection of "angular" in PDOS
Attachments
Traceback
Environment fingerprint
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.
The text was updated successfully, but these errors were encountered: