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If the CIF file already has spacegroup info, then in principle we could use the spg_standardize_cell feature of spglib build a "standardized" crystal which will correct for small errors in the atom positions. If we do this, then we wouldn't need the user to provide a symprec parameter.
The text was updated successfully, but these errors were encountered:
If the CIF file already has spacegroup info, then in principle we could use the spg_standardize_cell feature of spglib build a "standardized" crystal which will correct for small errors in the atom positions. If we do this, then we wouldn't need the user to provide a
symprec
parameter.The text was updated successfully, but these errors were encountered: