Welcome to the FHIaims Tutorials Overview Page!
Please use this site to navigate through the available FHIaims tutorials.

Learn about running FHIaims for molecules (spinunpolarized/polarized) and solids. The syntax of the input files and the structure of the output files is explained. Find out how to request a structure optimization and to request the calculation of band structure and DOS for solids.

Short tutorial about symmetryuse in solids.

FHIaims for Transition Metal Oxides
A special tutorial about the intricacies of spinpolarized solids from the material class of the transition metal oxides (here: Fe2O3) and how to construct cluster and simulate transition metal oxides clusters. Learn especially about the importance of charge and spin initialization.

RPA, GW, and BSE for Molecules and Solids
This tutorial focuses on manybody perturbation theory methods "beyond DFT" in FHIaims. In particular, three main approaches are discussed: (1) The GW approximation for quasiparticle properties (i.e., charged excitations such as "electrons" and "holes" in semiconductors); (2) the randomphase approximation (RPA) to electron correlation energies, for total energies; and (3) the BetheSalpeter equation (BSE) based on GW, for neutral (e.g., optical) excitation energies (in FHIaims, currently available for nonperiodic simulations of molecules).
Other tutorials will appear at this page over time. We also note that further tutorials related to earlier versions of FHIaims are available from past HandsOn workshop sites, e.g., the Handson DFT and Beyond workshop 2019.