A plugin for Siesta's basic functionality within the AiiDA framework.
Project description
A plugin to interface the Siesta DFT code to the AiiDA system.
Documentation can be found in:
http://aiida-siesta-plugin.readthedocs.io
If you use this package in your research, please consider citing J. Chem. Phys. 152, 204108 (2020) (https://doi.org/10.1063/5.0005077) and the relevant aiida-core papers.
Acknowledgements
This work is supported by the MaX European Centre of Excellence funded by the Horizon 2020 INFRAEDI-2018-1 program, Grant No. 824143, by the INTERSECT (Interoperable material-to-device simulation box for disruptive electronics) project, funded by Horizon 2020 under grant agreement No 814487, and by the Spanish MINECO (projects FIS2012-37549-C05-05 and FIS2015-64886-C5-4-P). We thank the AiiDA team, who are also supported by the MARVEL National Centre for Competency in Research funded by the Swiss National Science Foundation
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
File details
Details for the file aiida-siesta-2.0.0.tar.gz.
File metadata
- Download URL: aiida-siesta-2.0.0.tar.gz
- Upload date:
- Size: 1.5 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: python-requests/2.27.1
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 32c29ec0dcc1b9c685452470a5edfb2ca07b23390b47067f6429c154fbdef83f |
|
| MD5 | e2cccc8ae3970e2521b709a9a91b1564 |
|
| BLAKE2b-256 | 4c55bbf8faf698ddf074631769e4fd1cd7c8982cf5b12563b5bc66ef18194246 |
