Manager for first-principles calculations.
For manual see wiki tab at github and our wiki
If you use this package please cite:
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
Developers:
- Dmitry Aksenov
- Anton Boev
- Arseniy Burov
- Nikita Davydov
- Marina Titarenko
- Tatyana Kobernik
- Andrey Geondzhian
- Nikita Davydov