Exercises of the 4th CP2K tutorial

The 4th CP2K Tutorial was held from August 31, 2015 to September 4, 2015 at ETH Zürich.
More information can be found on the CECAM event page. Besides the exercises listed below, there were also Talks.

• Simple metadynamics simulation using the coordination numbers as variables
• QM/MM study of UREA Zwitterion in water
• Nanostructures and adsorption on metallic surfaces
• Setting up a FIST calculation of a protein using VMD

Input files for all of the above can be downloaded from http://www.epcc.ed.ac.uk/~ibethune/files/CP2K_CECAM.tar.gz (1.8 GB!)

More exercises:

• Geometry and cell optimization
• Ab initio MD
• MP2 and RPA
• Linear Scaling Simulations
• Basis set optimisation using OPTIMIZE_BASIS