Writing a cif reader for MULTEM

[thomasaarholt]

I'm beginning to realise that writing a cif reader for Multem is more difficult than I thought. I'm currently looking at doing so for Matlab, but I'm running into a few issues.

First off, what is rms3d used for, and how is it calculated? I'm guessing that it's the rms of (a, b, c) for the smallest unit cell of a crystal, but I don't fully understand it and I'm uncertain of what to plug in. It's related to the debye-waller factor.

Secondly, how does your gui code calculate the number of planes present in the sample? Is there a way I can hook into that code in order to calculate dz for a cif crystal?