If you follow this course in sync with the live classes (September-December), then this chapter is the second part your main content for week 10 of the fall term (see list of due dates).
You can do DFT calculations now. You can predict several properties of crystals, using quantum physics only. Yet, how reliable are your predictions? This question covers two other questions: (1) are your predictions technically/numerically correct? (2) and how close or how far is DFT expected to be from the true experimental value?
In this chapter, we will examine some answer to these questions. Going thoroughly through this chapter will take you about 1h30m.
Expected time: 45m
Ready fot a task?
Are you still on board?
Here you can find the recording of the feedback webinar of this week.