AOCombineJOrbitals
AOCombineJOrbitals
Section Atomic Orbitals
Type logical
Default no
By default, Octopus creates two sets of atomic orbitals for j-dependent pseudopotentials.
When doing ACBN0 functional, this leads to a Hubbard U for j=l-1/2 and one for j=l+1/2, unless
hubbard_j is specified in the species block.
By setting this variable to yes, one can instead define a single set of atomic orbitals that
contains both the j=l-1/2 and j=l+1/2 orbitals.
This is only relevant for spinor calculations with j-dependent pseudopotentials.