After performing a DOS calculation with aiida-fleur it seems aiida-fleur cant plot the DOS bc labels seem outdated
Calculation finished fine
FleurBandDosWorkChain<423523> Finished [0] [2:return_results]
├── FleurScfWorkChain<423524> Finished [0] [7:return_results]
│ ├── FleurinputgenCalculation<423525> Finished [0]
│ ├── modify_fleurinpdata<423736> Finished [0]
│ ├── FleurBaseWorkChain<423743> Finished [0] [3:results]
│ │ └── FleurCalculation<423745> Finished [0]
│ └── create_scf_result_node<425304> Finished [0]
├── modify_fleurinpdata<425307> Finished [0]
├── FleurBaseWorkChain<425314> Finished [0] [3:results]
│ └── FleurCalculation<425315> Finished [0]
├── create_band_result_node<425726> Finished [0]
└── create_aiida_dos_data<425728> Finished [0]
Error:
---------------------------------------------------------------------------
NotExistent Traceback (most recent call last)
/tmp/ipykernel_916388/2612085769.py in <cell line: 6>()
4
5
----> 6 plot_fleur(423523)
/Users/hilgers/JupyterHub/aiida-fleur/aiida_fleur/tools/plot/fleur.py in plot_fleur(save, show_dict, show, backend, *args, **kwargs)
69 #print(arg)
70 # plot alone
---> 71 p1 = plot_fleur_sn(arg, show_dict=show_dict, show=show, save=save, backend=backend, **kwargs)
72 all_plots.append(p1)
73
/Users/hilgers/JupyterHub/aiida-fleur/aiida_fleur/tools/plot/fleur.py in plot_fleur_sn(node, show_dict, **kwargs)
81 """
82
---> 83 plot_nodes, workflow_name, _ = classify_node(node)
84
85 if show_dict:
/Users/hilgers/JupyterHub/aiida-fleur/aiida_fleur/tools/plot/fleur.py in classify_node(node)
201 if workchain_node is None:
202 workchain_node = parameter_node.get_incoming(node_class=WorkChainNode).one().node
--> 203 add_nodes = tuple(workchain_node.get_outgoing().get_node_by_label(out_label) for out_label in add_outputs)
204
205 outputs = (parameter_node,) + add_nodes
/Users/hilgers/JupyterHub/aiida-fleur/aiida_fleur/tools/plot/fleur.py in <genexpr>(.0)
201 if workchain_node is None:
202 workchain_node = parameter_node.get_incoming(node_class=WorkChainNode).one().node
--> 203 add_nodes = tuple(workchain_node.get_outgoing().get_node_by_label(out_label) for out_label in add_outputs)
204
205 outputs = (parameter_node,) + add_nodes
/Users/hilgers/JupyterHub/aiida-core/aiida/orm/utils/links.py in get_node_by_label(self, label)
332
333 if matching_entry is None:
--> 334 raise exceptions.NotExistent(f'no neighbor with the label {label} found')
335
336 return matching_entry
NotExistent: no neighbor with the label last_calc_retrieved found
Versions: AiiDA-FLEUR version 2.0.0a0, AiiDA version 2.1.2
After performing a DOS calculation with aiida-fleur it seems aiida-fleur cant plot the DOS bc labels seem outdated
Calculation finished fine
Error:
Versions: AiiDA-FLEUR version 2.0.0a0, AiiDA version 2.1.2