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`parse_with_retrieved` of class `PwParser` has a problem when reducing raw symmetry operations to a list of indices to the internal matrix list. The loop at lines 111-113 of pw.py doesn't stop when a match is found, therefore operations with inversion symmetry (starting with \"inv.\") are selected even when not correct.\r\n\r\nA simple fix is to add a `break` when a match is found, but this relies on the list being sorted with non-inversion operations placed first, so a comment would also be useful.\r\n\r\nFurthermore, it could be useful to extend the check not only on the operation's name string, but also on the matrix itself, with an error if they don't match as expected.\r\n\r\n--------------------\r\n\r\nAttaching a PwCalculation node and a jupyter notebook that reproduce the problem:\r\n[136529.aiida.tar.gz](https://github.com/aiidateam/aiida-quantumespresso/files/1950740/136529.aiida.tar.gz)\r\n[symmetry_parser_issue.ipynb.tar.gz](https://github.com/aiidateam/aiida-quantumespresso/files/1950742/symmetry_parser_issue.ipynb.tar.gz)"},"comment":{"url":"https://api.github.com/repos/aiidateam/aiida-quantumespresso/issues/comments/400026588","html_url":"https://github.com/aiidateam/aiida-quantumespresso/issues/124#issuecomment-400026588","issue_url":"https://api.github.com/repos/aiidateam/aiida-quantumespresso/issues/124","id":400026588,"node_id":"MDEyOklzc3VlQ29tbWVudDQwMDAyNjU4OA==","user":{"login":"sphuber","id":6992332,"node_id":"MDQ6VXNlcjY5OTIzMzI=","avatar_url":"https://avatars3.githubusercontent.com/u/6992332?v=4","gravatar_id":"","url":"https://api.github.com/users/sphuber","html_url":"https://github.com/sphuber","followers_url":"https://api.github.com/users/sphuber/followers","following_url":"https://api.github.com/users/sphuber/following{/other_user}","gists_url":"https://api.github.com/users/sphuber/gists{/gist_id}","starred_url":"https://api.github.com/users/sphuber/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/sphuber/subscriptions","organizations_url":"https://api.github.com/users/sphuber/orgs","repos_url":"https://api.github.com/users/sphuber/repos","events_url":"https://api.github.com/users/sphuber/events{/privacy}","received_events_url":"https://api.github.com/users/sphuber/received_events","type":"User","site_admin":false},"created_at":"2018-06-25T17:11:08Z","updated_at":"2018-06-25T17:11:08Z","author_association":"CONTRIBUTOR","body":"Fixed in PR #171 "}}
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