Viewing Simulation Results

CP2K gives the coordinates of the simulated molecules in xyz format. The following programs will allow you to visualize these results.

Molecular Viewers

Arguslab For building molecules/systems.

Jmol A good program for viewing xyz files, including animations of several geometry steps.

Making Molecular Images Tutorial on how to make good images for publication.

VMD A powerful (albeit sometimes complicated) tool for viewing xyz files.

Periodic Viewers

Programs for viewing periodic systems, like crystals, from programs like VASP.

vasp2xyz Not a viewer, but produces coordinates in xyz format to be viewed with any of the above programs. Note that it will need to be modified to work with the latest POSCAR format, or the POSCAR file will need to be edited (delete line with element information).

VESTA A great all-around program for viewing periodic systems, including density, contours, etc. It will read VASP POSCAR files.