Opening the DFT Black Box Documentation
--------------------------------------------------------------------------------
________ ________ _________ ________ ___ ________
|\ ___ \|\ _____\\___ ___\ |\ __ \|\ \|\ __ \
\ \ \_|\ \ \ \__/\|___ \ \_|____________\ \ \|\ \ \ \ \ \|\ /_
\ \ \ \\ \ \ __\ \ \ \|\____________\ \ ____\ \ \ \ __ \
\ \ \_\\ \ \ \_| \ \ \|____________|\ \ \___|\ \ \ \ \|\ \
\ \_______\ \__\ \ \__\ \ \__\ \ \__\ \_______\
\|_______|\|__| \|__| \|__| \|__|\|_______|
Software developed by Jacob Hirschi, Dayana Bashirova, and Tim Zuehlsdorff
Oregon State University, Corvallis, OR 97331, USA
--------------------------------------------------------------------------------
General Information
Welcome to the documentation site for the educational software DFT-PIB, which applies density-functional theory to the 3D particle in a box model system. The three Google Colab Notebooks are accessible from the GitHub repo with the problem worksheet, and the instructions are mostly self-contained.
For completeness, we’ve also attached a short guide for executing the code here and a page with other great learning resources. Although the code is not really intended to be used as an API, we’ve included descriptions of the main functions used in each notebook herein with some examples.
Have fun learning about DFT!