[mcxtrace-users] improved perfect crystal model

[Mendenhall, Marcus]

Erik (& the list):

I found a minor implementation issue with the NIST_Perfect_Crystal.comp and NIST_bent_crystal.comp components I had previously submitted.  I had a factor of 1/sqrt(2) in the computation of the temperature factor M from the Debye-Waller B coefficient; it should have been 2/3 instead.  This was completely invisible in the results at room temperature, since this isn' correction, and 1/sqrt(2) is very close to 2/3.  Here are the updated components.

Marcus Mendenhall

Materials Measurement Science Division
National Institute of Standards and Technology
100 Bureau Dr. stop 8370 (217/B115)
Gaithersburg MD 20899 USA
phone: +1-301-975-8631

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