Install gpaw by entering the following commands in the terminal:
sudo apt update sudo apt install gpaw
Description:
DFT and beyond within the projector-augmented wave method
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.
Homepage: https://wiki.fysik.dtu.dk/gpaw/
Version: 1.3.0-2ubuntu1
Section: universe/science