Manager for DFT calculations
Project description
Manager for first-principles calculations. For manual see wiki tab at [github](https://github.com/dimonaks/siman/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](https://doi.org/10.1016/j.commatsci.2018.07.057)
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