Chapter 4 Running FHI-aims: Guides to specific tasks

The complete specification of all keywords available in FHI-aims and their capabilities was given in the previous chapter. The present chapter attempts to illustrate these capabilities in a tutorial way. The purpose of this exercise is threefold: (i) to provide clear starting points for the most common types of production calculations; (ii) to provide clear examples that can be modified (but need not be completely reinvented) for the many further capabilitues of FHI-aims; (iii) to describe specific “higher-level” tasks that bind together multiple FHI-aims calculations by way of scripts (e.g., vibrations, or nudged-elastic band calculations to find transition barriers).