I am trying to calculate the vibration mode of H2 molecure. I put H2 into a unit cell of a lattice, and then make the lattice constant equal to 10 Ang ( I think this will prevent the interaction of different H2 molecure in different unit cell). However, after following the way ( using fcbuild to make FC.fdf and using siesta to calculate FC constant and then analyze using vibrator), I get 6 vibration mode, while 3 are trivial, but the other three are not). As H2 is a linear molecure, I think the number of vibration mode should be 1. I am not sure what's wrong with my calculation. Someone could help me?

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