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Phonon Pdos projections #47

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AndresOrtegaGuerrero opened this issue Feb 22, 2024 · 2 comments
Open

Phonon Pdos projections #47

AndresOrtegaGuerrero opened this issue Feb 22, 2024 · 2 comments
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@AndresOrtegaGuerrero
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The experimentalis are interest to have different projections for the phonon pdos.
For example to select some atoms, and obtained the contribution of those atoms in pdos

@mikibonacci
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Up to now we group with respect to the elements, but we can avoid to sum over the same elements.
We can combine this with the widget by Xing to have the atom selection

@AndresOrtegaGuerrero
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Yes, We need to address the issue of phonopy of using atoms with different labels, like 'C1' , 'Fe2" , perhaps we should open an issue in phonopy, and/or try to fix here in the plugin

@mikibonacci mikibonacci added the bug Something isn't working label Aug 21, 2024
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