Hands-on course on density-functional calculations...Learn to perform density-functional...

Hands-on course on density-functional calculations

Time:

Place:Format:ECTS:Organizer:Contact:Register:

October 7-11, 2019 (1 week)optional: October 7-18 (2 weeks)Göttingen University lectures and computer-hands-on3 credits (6 credits for 2-week course) P.E. Blöchl and M. ten Brinkhandson2019@pt.tu-clausthal.dewww2.pt.tu-clausthal.de/atp/handson.html

Learn to perform density-functional calculations of molecules and solids

Theoretical basis of first-principles calculations. density-functional theory, ab-initio molecular dynamics, electronic-structure methodsUnderstanding electronic structure and chemical bondspatterns of bonding, from bonds to bandstructures, from atoms to solids, comprehend structures

Practice course using the CP-PAW code package Step-by-step introduction under the guidance by experienced tutors.

Guided projects (2nd week, optional)advanced lectures and individual projects,seminarCourses will be accompanied by detailed course materials.

-4 -2 0 2 4 6 8 10 12 14E(eV)

h+Γ X W L Γ K X-5

0

5

10

silicon