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ABINIT: First-Time User Guide
09 Jun 2009 | | Contributor(s):: Benjamin P Haley
This first-time user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We discuss the default simulation (what happens if you don't change any inputs, and just hit "simulate") as...
Bulk Band Structure: a Simulation Exercise
out of 5 stars
03 Aug 2008 | | Contributor(s):: Dragica Vasileska, Gerhard Klimeck
This simulation exercise teaches the students about band structure of indirect and direct bandgap materials, the optical gaps, the concept of the effective mass and the influence of spin-orbit coupling on the valence bandstructure.NSF