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@Samarmf Happy new year and thanks for reaching out. Note the If I understand your question correctly that you're asking for the "test files", should be this |
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Thanks a lot for your response, these are single point calculations,
correct?
Best Regards,
Samar Fawzy, PhD
The American University in Cairo
…On Tue, Jan 7, 2025 at 3:14 PM Haoyu (Daniel) YANG ***@***.***> wrote:
@Samarmf <https://github.com/Samarmf> Happy new year and thanks for
reaching out.
Note the pymatgen-analysis-defects package as a plugin of pymatgen has its
own repo <https://github.com/materialsproject/pymatgen-analysis-defects>
If I understand your question correctly, you're asking for the "test
files", if that's the case, should be this
<https://github.com/materialsproject/pymatgen-analysis-defects/tree/main/tests/test_files>
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I am trying to replicate the example here https://materialsproject.github.io/pymatgen-analysis-defects/content/nonradiative.html but I cannot find the files, can someone please help?
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