Install cp2k-data by entering the following commands in the terminal:
sudo apt update sudo apt install cp2k-data
Description:
Ab Initio Molecular Dynamics (data files)
CP2K is a program to perform simulations of solid state, liquid, molecular and biological systems. It is especially aimed at massively parallel and linear scaling electronic structure methods and state-of-the-art ab-inito molecular dynamics (AIMD) simulations. . This package contains basis sets, pseudopotentials and force-field parameters.
Homepage: http://www.cp2k.org
Version: 5.1-3
Section: universe/science