About CPMD

The CPMD code is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio Molecular Dynamics simulation[1] and is distributed free of charge to non-profit organizations. Profit organizations interested at the code should contact cpmd@cpmd.org. CPMD runs on many different computer architectures and it is well parallelized (MPI, OpenMP and mixed MPI/OpenMP).