UppASD-AiiDA’s documentation
The UppASD-AiiDA plugin is Interface between UppASD and AiiDAbased on the AiiDA plugin cutter or, The current version is intent to allows UppASD users to, e.g., deal with data provenance tracking problems with the help of AiiDA core.
The UPPASD program contains a suite of tools to simulate magnetic phenomena on an atomistic level. Its rich feature list involves state-of-the-art Monte Carlo and Atomistic Spin Dynamics (ASD) simulations. The program can be used for determining critical temperatures of materials as well as identifying magnetic ground states as well as exploring the magnetization dynamics in complex materials. It can also be used to both simulate and calculate, by means of linear spin-wave theory, the magnon dispersion relations for magnetic materials.
Our ambition includes but not limited in giving it possibility to improve ab initio studies with UppASD and AiiDA and bring data-driven methods to the domain of atomistic magnetic phenomena.
Contents:
If you use this plugin for your research, please cite the following work:
Qichen Xu, Anders Bergman, Jonathan Chico, Anna Delin Jornal Name XXX, YYYY (Year).
If you use UppASD for your research, please cite the following work:
Olle Eriksson, Anders Bergman, Lars Bergqvist, and Johan Hellsvik, Atomistic Spin Dynamics: Foundations and Applications Oxford University Press 2017 https://global.oup.com/academic/product/atomistic-spin-dynamics-9780198788669?cc=se&lang=en&
If you use AiiDA for your research, please cite the following work:
Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, and Boris Kozinsky, AiiDA: automated interactive infrastructure and database for computational science, Comp. Mat. Sci 111, 218-230 (2016); https://doi.org/10.1016/j.commatsci.2015.09.013; http://www.aiida.net.
This plugin is start from AiiDA_diff demo