# ModuleNotFoundError: No module named ‘aiida\_quantumespresso.calculations.functions.create\_magnetic\_configuration’ **URL:** \ **Category:** New to AiiDA\ **Created:** [February 12, 2024, 2:36am UTC](https://aiida.discourse.group/t/modulenotfounderror-no-module-named-aiida-quantumespresso-calculations-functions-create-magnetic-configuration/257 "2024-02-12T02:36:55Z")\ **Posts on this page:** 4\ **Page:** 1
**Author:** ![AmberLEE123456](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/amberlee123456/32/51_2.png) [@AmberLEE123456](https://aiida.discourse.group/u/AmberLEE123456)\ **Post date:** [February 12, 2024, 2:36am UTC](https://aiida.discourse.group/t/modulenotfounderror-no-module-named-aiida-quantumespresso-calculations-functions-create-magnetic-configuration/257/1 "2024-02-12T02:36:55Z")
Hi, I am trying to repeat the magnetic calculation with aiida\_quantumespreeso. [https://aiida-quantumespresso.readthedocs.io/en/latest/tutorials/magnetism.html](https://aiida-quantumespresso.readthedocs.io/en/latest/tutorials/magnetism.html) The program failed at this step: ```auto from aiida_quantumespresso.calculations.functions.create_magnetic_configuration import create_magnetic_configuration results = create_magnetic_configuration(structure, [-2, 2]) ``` It says ModuleNotFoundError: No module named ‘aiida\_quantumespresso.calculations.functions.create\_magnetic\_configuration’ Also if I type the sentences, the modules can not be auto detected by pressing ‘tab’. It can just automatically find something like "aiida\_quantumespresso.calculations.functions.create\_kpoints\_from\_distance " Did I miss anything when installing the software package? The total jupyterpy record is here ```auto +*In[1]:*+ [source, ipython3] ---- from aiida import orm, load_profile load_profile() ---- +*Out[1]:*+ ----Profile---- +*In[4]:*+ [source, ipython3] ---- from ase.build import bulk structure = orm.StructureData(ase=bulk('Co', 'hcp', 2.5, 4.06)) #pw_code = orm.load_code('qe-7.2-pw@localhost') pw_code = orm.load_code('pw@localhost') ---- +*In[12]:*+ [source, ipython3] ---- from aiida_quantumespresso.workflows.pw.base import PwBaseWorkChain builder = PwBaseWorkChain.get_builder_from_protocol( structure=structure, code=pw_code, protocol='fast' # pseudo_family = load_group('SSSP/1.3/PBE/efficiency') # pseudo_family = 'SSSP/1.3/PBE/efficiency' ) ---- +*In[13]:*+ [source, ipython3] ---- parameters = builder.pw.parameters.get_dict() parameters['SYSTEM']['nspin'] = 2 parameters['SYSTEM']['starting_magnetization'] = {'Co': 1} builder.pw.parameters = orm.Dict(parameters) ---- +*In[14]:*+ [source, ipython3] ---- from aiida.engine import run_get_node results, pwbase_node = run_get_node(builder) ---- +*Out[14]:*+ ---- 02/04/2024 11:09:35 AM <118424> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [362|PwBaseWorkChain|run_process]: launching PwCalculation<367> iteration #1 02/04/2024 11:10:03 AM <118424> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [362|PwBaseWorkChain|results]: work chain completed after 1 iterations 02/04/2024 11:10:03 AM <118424> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [362|PwBaseWorkChain|on_terminated]: remote folders will not be cleaned ---- +*In[15]:*+ [source, ipython3] ---- results['output_parameters'].get_dict()['total_magnetization'] ---- +*Out[15]:*+ ----3.36---- +*In[17]:*+ [source, ipython3] ---- #Using the SpinType from aiida_quantumespresso.common.types import SpinType builder = PwBaseWorkChain.get_builder_from_protocol( structure=structure, code=pw_code, protocol='fast', spin_type=SpinType.COLLINEAR ) ---- +*In[18]:*+ [source, ipython3] ---- builder.pw.parameters.get_dict()['SYSTEM']['starting_magnetization'] ---- +*Out[18]:*+ ----{'Co': 0.29411764705882354}---- +*In[19]:*+ [source, ipython3] ---- results, pwbase_node = run_get_node(builder) ---- +*Out[19]:*+ ---- 02/12/2024 10:00:32 AM <118424> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [378|PwBaseWorkChain|run_process]: launching PwCalculation<383> iteration #1 02/12/2024 10:00:56 AM <118424> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [378|PwBaseWorkChain|results]: work chain completed after 1 iterations 02/12/2024 10:00:56 AM <118424> aiida.orm.nodes.process.workflow.workchain.WorkChainNode: [REPORT] [378|PwBaseWorkChain|on_terminated]: remote folders will not be cleaned ---- +*In[20]:*+ [source, ipython3] ---- results['output_parameters'].get_dict()['total_magnetization'] ---- +*Out[20]:*+ ----3.36---- +*In[21]:*+ [source, ipython3] ---- structure.sites ---- +*Out[21]:*+ ----[, ]---- +*In[26]:*+ [source, ipython3] ---- #from aiida_quantumespresso.calculations.functions.create_magnetic_configuration import create_magnetic_configuration from aiida_quantumespresso.calculations.functions.create_magnetic_configuration import create_magnetic_configuration #from aiida_quantumespresso.calculations.functions.create_magnetic_configuration import create_magnetic_configuration results = create_magnetic_configuration(structure, [-2, 2]) ---- +*Out[26]:*+ ---- --------------------------------------------------------------------------- ModuleNotFoundError Traceback (most recent call last) Cell In[26], line 2 1 #from aiida_quantumespresso.calculations.functions.create_magnetic_configuration import create_magnetic_configuration ----> 2 from aiida_quantumespresso.calculations.functions.create_magnetic_configuration import create_magnetic_configuration 3 #from aiida_quantumespresso.calculations.functions.create_magnetic_configuration import create_magnetic_configuration 4 results = create_magnetic_configuration(structure, [-2, 2]) ModuleNotFoundError: No module named 'aiida_quantumespresso.calculations.functions.create_magnetic_configuration' ---- +*In[27]:*+ [source, ipython3] ---- from aiida_quantumespresso.calculations.functions.create_magnetic_configuration import create_magnetic_configuration results = create_magnetic_configuration(structure, [-2, 2]) ---- +*Out[27]:*+ ---- --------------------------------------------------------------------------- ModuleNotFoundError Traceback (most recent call last) Cell In[27], line 1 ----> 1 from aiida_quantumespresso.calculations.functions.create_magnetic_configuration import create_magnetic_configuration 3 results = create_magnetic_configuration(structure, [-2, 2]) ModuleNotFoundError: No module named 'aiida_quantumespresso.calculations.functions.create_magnetic_configuration' ---- +*In[]:*+ [source, ipython3] ---- ---- +*In[]:*+ [source, ipython3] ---- ---- ``` Many thanks for that. Sincerely, Dr. Guoyu Yang Lecturer Jimei Univ, School of Science, Digital Fujian Big Data Modeling and Intelligent Computing Institute 185 Yinjiang Rd., Jimei District, Xiamen,361021 Fujian, China E-mail: [201961000100@jmu.edu.cn](mailto:201961000100@jmu.edu.cn) ---
**Author:** ![t-reents](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/t-reents/32/82_2.png) [@t-reents](https://aiida.discourse.group/u/t-reents)\ **Post date:** [February 12, 2024, 6:31am UTC](https://aiida.discourse.group/t/modulenotfounderror-no-module-named-aiida-quantumespresso-calculations-functions-create-magnetic-configuration/257/2 "2024-02-12T06:31:58Z")
Hi @AmberLEE123456, which version of the AiiDA-QE plugin are you using? You can check it via ```auto pip show aiida-quantumespresso ``` ---
**Author:** ![AmberLEE123456](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/amberlee123456/32/51_2.png) [@AmberLEE123456](https://aiida.discourse.group/u/AmberLEE123456)\ **Post date:** [February 12, 2024, 10:03am UTC](https://aiida.discourse.group/t/modulenotfounderror-no-module-named-aiida-quantumespresso-calculations-functions-create-magnetic-configuration/257/3 "2024-02-12T10:03:32Z")
```auto (aiida_QE) yang@yang-Inspiron-3670:~/AiiDA/tutorial_ssh/01_a0s000508$ pip show aiida-quantumespresso Name: aiida-quantumespresso Version: 4.3.0 Summary: The official AiiDA plugin for Quantum ESPRESSO Home-page: Author: Author-email: The AiiDA team License: Location: /home/yang/miniforge3/envs/aiida_QE/lib/python3.11/site-packages Requires: aiida-pseudo, aiida_core, click, importlib_resources, jsonschema, numpy, packaging, pydantic, qe-tools, xmlschema Required-by: (aiida_QE) yang@yang-Inspiron-3670:~/AiiDA/tutorial_ssh/01_a0s000508$ ``` Sincerely, Dr. Guoyu Yang Lecturer Jimei Univ, School of Science, Digital Fujian Big Data Modeling and Intelligent Computing Institute 185 Yinjiang Rd., Jimei District, Xiamen,361021 Fujian, China E-mail: [201961000100@jmu.edu.cn](mailto:201961000100@jmu.edu.cn) ---
**Author:** ![t-reents](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/t-reents/32/82_2.png) [@t-reents](https://aiida.discourse.group/u/t-reents)\ **Post date:** [February 12, 2024, 10:18am UTC](https://aiida.discourse.group/t/modulenotfounderror-no-module-named-aiida-quantumespresso-calculations-functions-create-magnetic-configuration/257/4 "2024-02-12T10:18:53Z")
The feature was added in version 4.4: [aiida-quantumespresso/CHANGELOG.md at main · aiidateam/aiida-quantumespresso · GitHub](https://github.com/aiidateam/aiida-quantumespresso/blob/main/CHANGELOG.md#-new-features-1) So upgrading the `AiiDA-QE` plugin to at least v 4.4 should solve the problem. Hope that helps, Timo