Fixes the lcao_init routine for spinors
Description
Fixes the lcao_init routine for spinors
For the spinor case, we only have one orbital for per spin channel. This commit produces lcao wavefunctions which are properly distributed among up and down channels. This is particularly visible in case like He, for which the code was producing two states with only up components instead of one fully up and one fully down.
News snippet
Fixes the lcao_init routine for spinors
Checklist
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I have checked that my code follows the Octopus coding standards -
I have added tests for all the new features added in this request.