Welcome to the AiiDA-Siesta documentation!¶
The aiida-siesta python package interfaces the SIESTA DFT code (http://www.icmab.es/siesta) with the AiiDA framework (http://www.aiida.net). The package contains: plugins for SIESTA itself and for other utility programs, new data structures, and basic workflows. It is distributed under the MIT license and available from (https://github.com/albgar/aiida_siesta_plugin).
The Siesta input plugin was originally developed by Victor M. Garcia-Suarez.
Alberto Garcia further improved the Siesta input plugin and wrote the parser for Siesta and the STM plugin.
Emanuele Bosoni contributed the band-structure support for the Siesta plugin.
Vladimir Dikan and Alberto Garcia developed the workflows and refined the architecture of the package.
We acknowledge partial support from the Spanish Research Agency (projects FIS2012-37549-C05-05, FIS2015-64886-C5-4-P and PGC2018-096955-B-C44) and by the MaX European Centre of Excellence funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598.
- SIESTA Base workflow
- SIESTA Equation Of State workflow
- SIESTA Bands workflow
- SIESTA STM workflow