This instructional video is part 2 in a two part series.  It explains how to set up input parameters for SIESTA. Part 1 provides an introduction to computational modeling with the SIESTA simulation tool.

Researchers should cite this work as follows:

• Lan Li (2016), "Introduction to Computational Modeling - Input Parameters for SIESTA Simulation," https://nanohub.org/resources/24476.

  BibTex | EndNote

1. atomistic modeling and simulation
2. computational materials science
3. Computational Modeling
4. density functional theory (DFT)
5. Kohn-Sham Method
6. materials science
7. modeling
8. Schrodinger’s equation
9. SIESTA