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Hands-on course on density-functional calculations
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September 7-11, 2020 (1 week)optional: September 7-18 (2 weeks)Göttingen University lectures and computer-hands-on3 credits (6 credits for 2-week course) P.E. Blöchl and M. ten Brinkhandson@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
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