ASE tutorials

These are the ASE hands-on tutorials for the DFT and beyond workshop, 2019.

Basic advice: If time is short, please skip ahead to try the different tutorials instead of finishing all the steps in order. In other words, make sure to try at least a small part of each exercise.

Warning

These calculations use “quick and dirty” parameters so they run quickly. For production calculations one would generally use better parameters, and explicitly check that the calculated quantities are well converged with respect to the chosen parameters.