Useful Links

Basics

• Kröger-Vink notation

Manuals

• VASP Manual
• VASP Wiki

Reviews

Lecture Notes

• NIC Series Vol. 31 :Computational Nanoscience
• Challenges for first-principles based properties of defects in semiconductors and oxides

Databases

General

• NIST Standard Reference Databases
• Periodic Table
• Periodic Table (Royal Society of Chemistry)
• Irreducible representations, character and product tables

Electronic Structure Calculations

• Atomic Reference Data for Electronic Structure Calculations
• Crystal Lattice Structures

Programming

Intel

• Using Intel® MKL in your Python program
• Intel Link Advisor