Modeling materials using density functional theory
Fork from jkitchin/dft-book.
This is a project to compile a pretty comprehensive set of notes and examples on using density functional theory to model properties of materials.
Check out the new blog at Modeling materials using density functional theory.
Some notes on dft-book
The book is released under the GNU Free Documentation License. You are free to copy it, modify it, and redistribute it under the conditions of that license. The book is written in org-mode, and is best read in Emacs. You will be asked by Emacs if it is ok to set some local variables, and load the fill dft.el. You should say yes, as that file provides documentation. dft.org is always up to date. Alternatively, you may prefer the pdf version of the book which is nicely rendered and usally up to date. The mobi verrsion is hight experimental, and usually not up to date.
You are welcome to contribute examples of how to run calculations.