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 ...|
Spin-Polarized GLLB-SC potential and efficient real time LCAO-TDDFT for large systems
Presented 21 May 2013 at https://wiki.fysik.dtu.dk/gpaw/devel/workshop.html