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Specify equivalent sites included in different unit cells in get_miller_index_from_site_indexes of the Structure class #4220

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ShotaNamerikawa opened this issue Dec 8, 2024 · 0 comments
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enhancement A new feature or improvement to an existing one

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@ShotaNamerikawa
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ShotaNamerikawa commented Dec 8, 2024

Feature Requested

Now, we can specify only the site_ids of atoms to define an atomic plane for which a miller index is derived in the get_miller_index_from_site_indexes method of the Structure class. But this is quite inconvenient because we cannot get the Miller indices of the planes passing through atoms located at equivalent intercell positions in different unit cells.

Proposed Solution

Therefore, I would like someone to make the method able to get arbitrary atomic planes by using a new argument indicating the unit cell positions of the atoms, an atomic plane overlaps.

Sorry for the bad English.

Best regards

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@ShotaNamerikawa ShotaNamerikawa added the enhancement A new feature or improvement to an existing one label Dec 8, 2024
@ShotaNamerikawa ShotaNamerikawa changed the title specify equivalent sites included in different unit cells in get_miller_index_from_site_indexes of the Structure class specify equivalent sites included in different unit cells in get_miller_index_from_site_indexes of the Structure class Dec 8, 2024
@ShotaNamerikawa ShotaNamerikawa changed the title specify equivalent sites included in different unit cells in get_miller_index_from_site_indexes of the Structure class Specify equivalent sites included in different unit cells in get_miller_index_from_site_indexes of the Structure class Dec 8, 2024
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