gpaw-plot-parallel-timings

DFT and beyond within the projector-augmented wave method

Install

All systems
curl cmd.cat/gpaw-plot-parallel-timings.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
Raspbian
apt-get install gpaw

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.

python2-gpaw

A grid-based real-space PAW method DFT code