GPAW: DFT and beyond within the projector-augmented wave method
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 plane-waves, atom-centered basis-functions or real-space uniform grids combined with multigrid methods.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
gpaw-1.5.1.tar.gz
(1.4 MB
view details)
File details
Details for the file gpaw-1.5.1.tar.gz.
File metadata
- Download URL: gpaw-1.5.1.tar.gz
- Upload date:
- Size: 1.4 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/1.12.1 pkginfo/1.4.2 requests/2.18.4 setuptools/36.7.2 requests-toolbelt/0.8.0 tqdm/4.28.1 CPython/3.6.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
63a00bd97cc4e10fb5f5c718039af18c90c7e0e19897a6a852e5f54fc0c81776
|
|
| MD5 |
a6a5b8d4e87b54ddf7aeb37841bc8906
|
|
| BLAKE2b-256 |
6d217064a32083825841e2777743fafc9d2680dd77291097fe14429a31eee62e
|
