This is the homepage for the hands-on tutorial Laboratory of Quantum Simulation of Materials (LabQSM) held by Andrea Ferretti and Daniele Varsano, a university (master-level) class on electronic structure methods, with a particular focus on density functional theory (DFT).
Link to Selected Laboratories
Lecture 0: The Unix environment
Lecture 1: Basic DFT calculations and Convergences
- Structural and electronic properties of semiconductors and metals
- Non self-consistent calculations: Band structures and Density Of States