GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods, atom-centered basis-functions or plane-waves. Read more about the Algorithms used.
Quick links to all features:
|TDDFT||LRTDDFT (molecules)||LRTDDFT (extended systems)|
|Transport||NEGF-transport||Keldysh GF-transport ...|