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Anomalous Scattering

  X-PLOR allows one to incorporate the effects of anomalous scattering into the structure factor calculation. There are only two places where input files have to be modified: including the imaginary constant for specification of the appropriate atomic-form factor and turning off the Hermitian symmetry operation.

The following example illustrates the inclusion of anomalous scattering effects for FE atoms:


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Sat Mar 11 09:37:37 PST 1995