Home
Aksenov Dmitry edited this page Dec 17, 2022
·
64 revisions
SIMAN documentation, makes DFT calculation easy
https://siman.readthedocs.io/en/latest/ - Autodoc
https://pypi.org/project/siman/ - install with pip
Aksyonov et. al, Understanding migration barriers for monovalent ion insertion in transition metal oxide and phosphate based cathode materials: A DFT study, Comp. Mat. Sci. 154, 449-458, 2018