SYMMOL is a new stand-alone program to find the maximum symmetry compatible with a given tolerance. The input requirements are cell parameters, atomic coordinates and the tolerance. The output is a set of symmetrized coordinates, the point-group label and the point-group elements. Some parameters quantifying the deviation from the exact symmetry are also calculated.
SYMMOL: a program to find the maximum symmetry group in an atom cluster, given a prefixed tolerance
Pilati T;Forni A
1998
Abstract
SYMMOL is a new stand-alone program to find the maximum symmetry compatible with a given tolerance. The input requirements are cell parameters, atomic coordinates and the tolerance. The output is a set of symmetrized coordinates, the point-group label and the point-group elements. Some parameters quantifying the deviation from the exact symmetry are also calculated.File in questo prodotto:
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Descrizione: J. Appl. Cryst. 31, 503-504, 1998
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