Programme:

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Time Monday 24 Tuesday 25 Wednesday 25 Thursday 26 Friday 27
9:30-11:00 General introduction to second-principles and SCALE-UP. Quick guide to run a first calculation E1 and E2 energy terms. Electronic models, theoretical introduction and files Model construction–focused on the lattice Model construction–focused on the electrons Simulation modes–existing and in development
11:00-11:30 Coffe break Coffe break Coffe break Coffe break Coffe break
11:30-13:00 Run first calculation and inspect output. Present tools for visualizing results Hands-on with models involving E1. Focus: what is the reference electron density (RED), tools Practice lattice model construction Practice electron model construction Perspectives, community building, databases, policy, collaborations, etc.
13:00-14:00 Lunch break Lunch break Lunch break Lunch break Lunch break
14:00-15:30 E0–lattice models. Theoretical introduction and files Hands-on with models involving E2. Focus on magnetism and the Reference Electron Density Hands-on with models involving electron-phonon coupling One-on-one discussion of individual problems
15:30-17:00 Hands-on of lattice simulations Presentation of individual problems by attendees Presentation of individual problems by attendees One-on-one discussion of individual problems