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Tutorial 3b: Materials Simulation by First-Principles Density Functional Theory II
14 Sep 2010 | | Contributor(s):: Umesh V. Waghmare
Tutorial 3a: Materials Simulation by First-Principles Density Functional Theory I
This lecture provides an introduction to first-principles density functional theory based methods for simulation of materials, with a focus on determination of interatomic force constants and vibrational spectra of nano-structures and extended periodic materials.Outline:Phonons, soft...