Application Name: CPMD
Discipline: Computational Materials Science
How to use this code on CRESCO

The CPMD code is a parallelized plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics. Some features are: works with norm conserving or ultrasoft pseudopotentials, LDA, LSD and the most popular gradient correction schemes; free energy density functional implementation, isolated systems and system with periodic boundary conditions; k-points, molecular and crystal symmetry, wavefunction optimization: direct minimization and diagonalization, geometry optimization: local optimization and simulated annealing, molecular dynamics: constant energy, constant temperature and constant pressure, path integral MD, response functions, excited states, many electronic properties, time-dependent DFT (excitations, molecular dynamics in excited states), coarse-grained non-Markovian metadynamics.