Commits on Aug 10, 2023

1. Fixes: BECs, Hubbard in SC, and cell …

   The following fixes are done:
   * BECs were wrongly transposed with final indices [I,k,i].
    The correct convention is [I,i,k], where:
    1. I atomic index
    2. i polarization index
    3. k displacement index
    All the other tensors remains correct.
    * The single-crystal setup are now computed using the
     unitcell reference, not the primitive cell. This does not
     change the single-crystal results when computed
     using cartesian inputs with the previous convention.
     * Small bug fix for the supercell Hubbard calculation.

   

   bastonero committed Aug 10, 2023
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