CP2K

CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.

Note

This is an autogenerated page, more detail including examples may be available for this package. Please see the first section of Software on Stanage

After connecting to Stanage (see Establishing a SSH connection), start an interactive session:

salloc

A version of CP2K can then be made available with one of the following:

module load CP2K/2026.2-foss-2025b

Notes

CP2K was installed using Easybuild, build details can be found in $EBROOTCP2K/easybuild with a given module loaded.

Direct dependencies for latest version of CP2K