Hello,
vc-relax, without constraints, does not break the symmetry of the
crystal, because the forces themselves are symmetric.
kind regards
On 05/06/2025 22:58, Dr. Sheharyar Pervez Assistant Professor FES wrote:
Hello,
I know that |cell_dofree='ibrav'| will keep the lattice consistent.
But is there any way to keep the |space_group |consistent as well? Or
will |cell_dofree| take care of that as well?
Thank you.
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