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\label{fig:go_fire}  First iterations on a geometry Geometry  optimization of a methane molecule. Top panel (orange squares): energy difference $\Delta E_{\text{tot}}$ respect to the equilibrium geometry. Middle panel (blue circles): maximum component of the force $F_{\text{max}}$ acting on the ions. Bottom panel (green diamonds): C-H bond length. Grid spacing of 0.33~Bohr.