Check LCAO with spinors and parallelization in atoms
The following code in lcao.F90 calls for checking, as rho
is 4 components for the spinors.
if (ions%atoms_dist%parallel .and. parallelized_in_atoms) then
! NOTE: if random or user_defined are made parallelized in atoms, below should be st%d%nspin instead of spin_channels
do is = 1, spin_channels
call lalg_copy(gr%np, rho(:,is), atom_rho(:,1))
call ions%atoms_dist%mpi_grp%allreduce(atom_rho(1, 1), rho(1, is), gr%np, MPI_FLOAT, MPI_SUM)
end do
end if
This should be wrong for solids with spinors and a guess density not along the quantization axis.