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Elements

N, N_atoms, N_manifolds, max_block_size -- integer

n_matrices -- integer

at_Z -- integer, allocatable, dimension(:)

tbmodel -- type(TBModel)

first_orb_of_atom -- integer, allocatable, dimension(:)

first_manifold_of_atom -- integer, allocatable, dimension(:)

first_orb_of_manifold -- integer, allocatable, dimension(:)

noncollinear, complex_matrices -- logical

H, S -- type(TBMatrix)

dH -- type(TBMatrix), dimension(3)

dS -- type(TBMatrix), dimension(3)

kpoints -- type(KPoints)

scf -- type(Self_Consistency)

dipole_model -- type(TB_Dipole_model)

SO -- type(TB_Spin_Orbit_Coupling)

mpi_global, mpi_my_matrices -- type(MPI_context)

scalapack_my_matrices -- type(ScaLAPACK)

Initialise interface

gabor 2009-06-30