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Covariant density functional theory is solved in 3D lattice space by implementing the preconditioned conjugate gradient method with a filtering function (PCG-F). It considerably improves the computational efficiency compared to the previous inverse Hamiltonian method (IHM). This new method is then applied to explore the tetrahedral shape of Zr in the full deformation space. The ground state of Zr is found to have a tetrahedral shape, but the deformations and greatly soften the potential energy surface. This effect is analysed with the microscopic evolution of the single-particle levels near the Fermi surface driven by the deformation.

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