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If you follow this course in sync with the live feedback webinars (September-December), then this chapter is your main content for week 1 of the fall term (see the due dates).

DFT codes need to know which crystal you want to calculate. How do you tell them? This unavoidably brings you into the realm of crystallography. This week, we take a pragmatic look at crystallography, in order to learn the tools and concepts you will need in this respect.

Going thoroughly through this chapter, will take you about 80 minutes.

In the separate hands-on section (let’s play) you learn about the use of VESTA, a free crystal viewer/manipulator that can come in handy.

If you are part of a project team, it is about time to submit the strategy and work plan of your team.

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