Hands-on course on density-functional calculations...density-functional theory, ab-initio molecular...
Transcript of Hands-on course on density-functional calculations...density-functional theory, ab-initio molecular...
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 [email protected]/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.
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silicon