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Lattice constants, total energies, and densities of state of transition metals Co, Rh, and Ir in the VIIIB group with different crystalline structures were calculated via generalized gradient approximation (GGA) of thetotal energy plane wave pseudopotential method in first-principles. The lattice stabilities of Rh and Ir are ΔGbcc-hcp > ΔGfcc-hcp > 0, agreeing well with those of the projector...