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