Open-source DFT code based on Python and the PAW method, suited to materials electronic structure research.
GPAW is an open-source DFT code based on the projector augmented-wave (PAW) method and tightly integrated with the Atomic Simulation Environment (ASE). It suits Python-based workflows for calculations on semiconductor materials, surfaces, adsorption, nanostructures and electronic structure.
Use cases: DFT, PAW, semiconductor materials, surface adsorption, automated Python calculations, electronic structure
Note: Best suited to users with a background in Python and computational materials science; complex systems require attention to computing resource configuration.
