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Define n_atoms_per_unit_cell for TB model method #138

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JosePizarro3 opened this issue Sep 27, 2024 · 0 comments · Fixed by #139
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Define n_atoms_per_unit_cell for TB model method #138

JosePizarro3 opened this issue Sep 27, 2024 · 0 comments · Fixed by #139
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improvement/fix Improvement or fix of a previous feature

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@JosePizarro3
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In Wannier90, the Wannier.n_orbitals is defined for all the atoms per unit cell, hence it is the combination of n_wannier_orbitals * n_atoms_per_unit_cell. I need to redefine the schema in terms of these 2 quantities.
@JosePizarro3 JosePizarro3 added the improvement/fix Improvement or fix of a previous feature label Sep 27, 2024
@JosePizarro3 JosePizarro3 self-assigned this Sep 27, 2024
@JosePizarro3 JosePizarro3 mentioned this issue Sep 27, 2024
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@JosePizarro3 JosePizarro3 linked a pull request Sep 27, 2024 that will close this issue
Define n_atoms_per_unit_cell for TB model method #139
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Define n_atoms_per_unit_cell for TB model method nomad-coe/nomad-simulations
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