If I had not mistaken, you mean about e-books or journals, right? If you can be more elaborate, then it would have been better for us to understand. Please be more clearer if possible. Thanks in anticipation.
If you want to do the calculations yourself, you can have a look at the "Quantum Espresso" package (http://www.quantum-espresso.org/). It is an integrated suite of open-source computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials.
Yes, I had been looking for codes or package for Abinitio calculation. Thanks Dr. Ghosh and Mayekar ji for your response. Thanks to Dr. John and Dr. Wagner for the extremely useful information. Best regards.