CP2K

Description

CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular

simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials.

More information

• Homepage: https://www.cp2k.org/

Availability

Module	Manneback	Lemaitre4
CP2K/2023.1-foss-2023a		√