Manager for DFT calculations
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Project description
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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| Filename, size & hash SHA256 hash help | File type | Python version | Upload date |
|---|---|---|---|
| siman-0.9.5.5.tar.gz (230.9 kB) Copy SHA256 hash SHA256 | Source | None |
