In order to calculate nuclear neutron intensities properly, mcdiff has to be provided with the neutron scattering length in units of m.
#------------------------------------------------------- # Neutron Scattering Length (10^-12 cm) (can be complex) #------------------------------------------------------- SCATTERINGLENGTHREAL=0.769 SCATTERINGLENGTHIMAG=0 # ... note: - if an occupancy other than 1.0 is needed, just reduce # the scattering length linear accordingly