Download - Learn to perform ab-initio calculations of molecules and ... · Learn to perform ab-initio calculations of molecules and solids Theoretical basis of ﬁrst-principles calculations.

Hands-on course on first-principles calculations

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

4-8 September 2017Göttingen University lectures and computer-hands-on3 credits P.E. Blöchl and R. [email protected]/atp/handson.html

Learn to perform ab-initio 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, basics of magnetism.

Practice course using the CP-PAW code package Step-by-step introduction under the guidance by experienced tutors.Courses will be accompanied by detailed course materials.

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silicon