Learning Resources

Recommendations

There are many resources to learn about DFT. My recommendation is currently as follows:
If you are using a plane-wave DFT code like VASP:
Read at least Chapters 1-3, 8, and 10 of Density Functional Theory: A Practical Introduction by Sholl and Steckel.
As-needed, refer to the  Computational Materials Physics video series  for select topics of interest.
If you are using a molecular DFT package:
Read Chapter 8 and 10 of Essentials of Computational Chemistry: Theories and Models.
As-needed, refer to Introduction to Computational Chemistry by Jensen for select topics of interest.
If you are studying MOFs, skim  "Electronic Structure Modeling of Metal-Organic Frameworks."