gpaw-python

DFT and beyond within the projector-augmented wave method

Install

All systems
curl cmd.cat/gpaw-python.sh
Debian Debian
apt-get install gpaw
Ubuntu
apt-get install gpaw
image/svg+xml Kali Linux
apt-get install gpaw
Fedora
dnf install gpaw
Windows (WSL2)
sudo apt-get update sudo apt-get install gpaw
Raspbian
apt-get install gpaw
Dockerfile
dockerfile.run/gpaw-python

gpaw

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.