1-Density-Functional Theory of Atoms and Molecules; Robert G. Parr, Weitao Yang, Oxford University Press, (1989).

For a more practical-oriented introduction:

2-A Chemist's Guide to Density Functional Theory; Wolfram Koch, Max C. Holthausen, Wiley-VCH Verlag GmbH, (2001).

1-Density-Functional Theory of Atoms and Molecules; Robert G. Parr, Weitao Yang, Oxford University Press, (1989).

For a more practical-oriented introduction:

2-A Chemist's Guide to Density Functional Theory; Wolfram Koch, Max C. Holthausen, Wiley-VCH Verlag GmbH, (2001).

http://www.ch.ic.ac.uk/harrison/Teaching/DFT_NATO.pdf

Hi, take a look at the webpage of the group of Kieron Burke http://dft.uci.edu/

In the literature section you find a whole lot a references. Most helpful may

be the 'ABC of DFT' - a highly comprehensive review of DFT.

The pdf is attached.

Of course the books bei EKU Gross, one of the most influential people in DFT, are also highly recommendable, see e.g.

Density Functional Theory, R.M. Dreizler and E.K.U. Gross (Springer-Verlag, Berlin, 1990)

Time-dependent density functional theory, ed. M. Marques, C.A. Ullrich, F. Noguiera, A. Rubio, K. Burke, and E.K.U. Gross (Springer, Heidelberg, 2006)

There is actually many. If you are looking for Books,

1) Electronic Structure by Richard martin

2) Electronic Structure by J. Kohanoff (very lucid for absolute beginners)

There are reviews available in internets:

1) look at the attachments dft_introd.pdf by J. Hafner

2)http://arxiv.org/abs/cond-mat/0211443

There are many many others, but those make a good start.

I have written an excellent tutorial to introduce you to DFT calculations with input files included:

Tutorial on Density Functional Theory using quantum espresso

Here is a link to the tutorial:

https://medium.com/@benjaminobi/tutorial-setting-up-and-running-a-dft-calculation-using-quantum-espresso-d7a2428495bd

how can one start a DFT calculation for a structure like Ca2Fe (PO4) 2 on gaussian

You can follow

http://www.ch.ic.ac.uk/harrison/Teaching/DFT_NATO.pdf

• I think this paper would be helpful for learning density functional theory (DFT).