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dimonaks / siman

Licence: GPL-2.0 License
Manager for first-principles calculations

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Manager for first-principles calculations.
For manual see wiki tab at github

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

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