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Introduction to Computational Modeling - Input Parameters for SIESTA Simulation
16 Jun 2016 | | Contributor(s):: Lan Li
This instructional video is part 2 in a two part series. It explains how to set up input parameters for the SIESTA simulation tool.
Introduction to Computational Modeling - Schrödinger Equation, Density Functional Theory (DFT), Kohn-Sham Method, DFT Code SIESTA
This instructional video is part 1 in a two part series. It provides anintroduction to computational modeling, including motivation for studyingthis topic. The Schrödinger Equation is reviewed and its relationship toDensity Functional Theory (DFT) is explained. The...
NEMO5 Tutorial 3: Models
17 Jul 2012 | | Contributor(s):: Jean Michel D Sellier
This tutorial presents the models implemented in NEMO5. A description on how the solvers interact with each other is reported along with the options of the various solvers. An example on how to make a simulation that involves strain calculations, Schroedinger wave functions calculations and an...