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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Oct-2019 | AgCl(001)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex | Geometry optimization | DFT | - | -60.85230578; eV | |||
 | 7-Oct-2019 | LiBr(001)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex | Geometry optimization | DFT | - | -113.31674732; eV | |||
 | 7-Oct-2019 | AgBr(001)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex | Geometry optimization | DFT | - | -57.88013334; eV | |||
 | 7-Oct-2019 | NaCl(001)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.4.1; 24Jun15 (build Dec 04 2017 15:02:45) complex | Geometry optimization | DFT | - | -77.17596360; eV |
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