A question about indices

[LoeweWang]

Hi Toma and Jacob.

It is a great work to create abtem. I have got a question to consult you.
When I set indices=(1, 0, 1), I nearly get the same image as what the real HRTEM gets. I need to slightly rotate the crystal face to get the totally same image. My idea is to increase "x" a little bit, keep "y" as 0 and "z" as 1. But the indices require a sequence of int, so I cannot set (1.1, 0, 1). At the same time, I cannot set (101, 0 ,100) which will generate an image like a straight line.
I am so confused to come up wiith a solution to solve this problem. Sincerely hope that someone can provide help.

[TomaSusi]

Hi! Thanks for the kind words.

I presume you are talking about the Miller indices used in the ASE build functions (as also mentioned in our tutorial on building advanced atomic models). These can, in principle, create crystal unit cells for higher-order Miller planes, but the required unit cells quickly become very large. Small tilts are particularly challenging.

Simulating rotated crystals is a highly non-trivial problem in multislice simulations, and as we've mentioned in issue #111, it's something we are working on to provide a general solution. That will still take some time, however. In the meanwhile, perhaps our small-angle beam tilt functionality would be sufficient for your needs?

https://abtem.github.io/doc/user_guide/walkthrough/multislice.html?highlight=beam%20tilt#small-angle-beam-tilt