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What is the beam propagation direction? #116

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jhuang97 opened this issue Dec 9, 2022 · 0 comments
Open

What is the beam propagation direction? #116

jhuang97 opened this issue Dec 9, 2022 · 0 comments

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@jhuang97
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jhuang97 commented Dec 9, 2022

In Kirkland's computem / temsim, the electron beam propagates in the positive z direction, if I recall correctly.

I notice here that in src/PRISM01_calcPotential.cpp, the z coordinate of the atoms seem to be negated at one point, with the lines
return round((-t_z + pars.tiledCellDim[0]) / pars.meta.sliceThickness + 0.5) - 1;
and
return (-t_z + max_z);

Why is it like this? As a consequence of this, does the electron beam propagate through the slices in decreasing order of z-coordinate in Prismatic?

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