Debye Waller Factor

For the more accurate calculation of neutron intensities it is necessary to give the magnetic form factor (see the table in appendix J) and the Debye Waller Factor in the single ion property input file. This can easily be don by adding some additional lines to a single ion property file:

#-------------------------------------------------------
# Debye-Waller Factor: sqr(Intensity)~|sf|~EXP(-2 * DWF *s*s)=EXP (-W)
#                      with s=sin(theta)/lambda=Q/4pi
# relation to other notations: 2*DWF=Biso=8 pi^2 <u^2>
# unit of DWF is [A^2]
#-------------------------------------------------------
DWF=0.4



Martin Rotter 2017-01-10