Theory

In this part of the manual you will find a brief summary of some of the theoretical concepts related to running CPMD. This is by no means complete and only intended as a quick reference. For more details and deeper discussions, you are referred to the text books listed in section 1.7 and - of course - the original literature cited throughout the manual.

A special thanks to Jürg Hutter for sharing his lecture notes on CPMD for this purpose.