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Constraint to preserve spacegroup symmetry during optimisation #2901

@1041176461

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@1041176461

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I found that the original symmetry may be broken during structure optimization. Can ABACUS support keeping the spacegroup symmetry unchanged during structure optimization?

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I think you can refer to this code https://wiki.fysik.dtu.dk/ase/_modules/ase/spacegroup/symmetrize.html#FixSymmetry. And this function may have to be distinguished from electronic symmetry, because partial code (e.g. HSE) electronic calculation does not support symmetry

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Feature DiscussedThe features will be discussed first but will not be implemented soonSymmetryThis issue is related to symmetry

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