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aiida-musconv

aiida-impuritysupercellconv is a plugin that allows to obtain converged supercell size for an interstitial impurity calculation.

status stable AiiDA >=2.0,<3

General information

Install pip install git+https://github.com/positivemuon/aiida-musconv
Source code https://github.com/positivemuon/aiida-musconv
Documentation No documentation provided by the package author.
Author(s) Muon group Parma
Python import import aiida_musconv

Registry checks

W010: Entry point 'impuritysupercellconv' does not start with prefix 'musconv.'
E002: Failed to import package aiida_musconv<pre>Traceback (most recent call last): File "<string>", line 1, in <module> ModuleNotFoundError: No module named 'aiida_musconv' </pre>
Click any code (W001, E001…) to jump to troubleshooting instructions .

Plugins provided

Workflows 1

Entry points

WorkChains and work functions aiida.workflows

  • impuritysupercellconv

    aiida_impuritysupercellconv.workflows.impuritysupercellconv:IsolatedImpurityWorkChain