Background
I found that the original symmetry may be broken during structure optimization. Can ABACUS support keeping the spacegroup symmetry unchanged during structure optimization?
Describe the solution you'd like
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
Additional Context
No response
Background
I found that the original symmetry may be broken during structure optimization. Can ABACUS support keeping the spacegroup symmetry unchanged during structure optimization?
Describe the solution you'd like
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
Additional Context
No response