Fail to parse the BandsData in Pwimmigrant

[quanshengwu]

Dear AiiDA Team,

I am using aiida 0.10.rc3.

I followed the tutorial of pwimmigrant of aiida_quantumespresso plugin. The script worked just fine. And the scf.in, scf.out, bands.in, bands.out was successfully imported. However, I didn’t find the BandData in the output nodes.

verdi calculation list -a
307 1h ago FINISHED itplin quantumespresso.pwimmigrant
313 1h ago FINISHED itplin quantumespresso.pwimmigrant

Where node 307 is the scf calculation and 313 is the band calculation.

(aiidapy-new) aiida-topo$verdi calculation show 313

---

type PwimmigrantCalculation
pk 313
uuid 3ab7bee3-33db-48d2-b10d-167c9f1c0913
label
description
ctime 2017-11-29 11:12:39.892687+00:00
mtime 2017-11-29 11:12:52.094575+00:00
computer [1] itplin
code pw.x6.2-itplin

---

INPUTS:

Link label PK Type

---

parent_calc_folder 308 RemoteData
pseudo_O 5 UpfData
parameters 309 ParameterData
settings 310 ParameterData
pseudo_Ca 8 UpfData
kpoints 311 KpointsData
pseudo_Mn 6 UpfData
structure 312 StructureData
pseudo_Re 7 UpfData

OUTPUTS:

Link label PK Type

---

remote_folder 314 RemoteData
retrieved 315 FolderData
output_parameters 316 ParameterData
output_array 317 ArrayData

Here is a segment of my script:
39 calc_scf = PwimmigrantCalculation(computer=computer,
40 resources=resources,
41 remote_workdir=remote_workdir,
42 input_file_name=scfin,
43 output_file_name=scfout)
44
45 calc_bands = PwimmigrantCalculation(computer=computer,
46 resources=resources,
47 remote_workdir=remote_workdir,
48 input_file_name=bandsin,
49 output_file_name=bandsout)
50
51
52 calc_scf.use_code(code)
53 calc_bands.use_code(code)
54
55 with transport as open_transport:
56 calc_scf.create_input_nodes(open_transport)
57 calc_scf.prepare_for_retrieval_and_parsing(open_transport)
58
59 calc_bands.create_input_nodes(open_transport, parent_calc_folder=calc_scf.out.remote_folder,
60 settings_dict={'also_bands':True})
61 calc_bands.prepare_for_retrieval_and_parsing(open_transport)

Thank Leonid's reply, I am looking forward to the new version.