This block course introduces international students to the state-of-the-art of modern electronic-structure calculations. The course provides the theoretical background on methods and materials as well as a hands-on practical course on the CP-PAW code. The course targets physicists and chemists during their masters or early PhD studies.

After finishing part one of the course, the students will be able to independently develop and carry through density functional calculations as well as to analyze and judge their results.

The participants can decide to attend also part two of the course. In the second part, the students carry out guided individual projects which they presented in a seminar. A small number of lectures on advanced topics of density functional calculations will be given.

Hands-on Course on Density-Functional Calculations – International CP-PAW Autumn School 2023