BUG: Orbital symmetries are not accounted for when mapping IBZ -> FBZ#43
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BUG: Orbital symmetries are not accounted for when mapping IBZ -> FBZ#43
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…oducing orbital permutations when applying mirror symmetries
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Currently there is a bug in the code where the orbital permutations are not taken into account when mapping from the IBZ to the FBZ when mirror symmetries (e.g. x-y-sym) have been added to the lattice symmetries. This is a bug. However, the code works fine if one only uses inversion symmetries. This is hence not critical but still remains important to fix as for cubic symmetries one could save up to a factor of 6 in memory and computation time (outside of the SDE).
This will have to be done in the "map_to_full_bz" method, where each orbital index of the quantities also need to be rotated when mapping IBZ -> FBZ.
The user will have to manually enter the orbital basis (e.g. "t2g") in a setting, so we know which orbital symmetries are needed and applicable. We will try to implement t2g first and then also "eg".
If you have any suggestion of how to fix this, please take a look at #44.