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ABINIT: First-Time User Guide
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09 Jun 2009 | Teaching Materials | 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 …
Bulk Band Structure: a Simulation Exercise
03 Aug 2008 | Teaching Materials | 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 …
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