gpaw - A grid-based real-space PAW method DFT code
| Website: | https://wiki.fysik.dtu.dk/gpaw/ |
|---|---|
| License: | GPLv3+ |
| Vendor: | Fedora Project |
- Description:
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 or atom-centered basis-functions.
Packages
| gpaw-0.10.0.11364-8.el6.src [1.0 MiB] |
Changelog
by Marcin Dulak (2014-11-20):
- new style of linking blacs on EL6 |