Package: cp2k-data (5.1-4)
Links for cp2k-data
Download Source Package cp2k:
- Homepage [www.cp2k.org]
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.