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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Oct-2019 | CdS(110)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2019 13:00:52) complex | Single point | DFT | - | -176.12822419; eV | |||
 | 7-Oct-2019 | RbF(001)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex | Single point | DFT | - | -85.31615197; eV | |||
 | 7-Oct-2019 | HgF2(100)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex | Single point | DFT | - | -84.13509781; eV | |||
 | 7-Oct-2019 | SrF2(100)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex | Single point | DFT | - | -137.65158395; eV | |||
 | 7-Oct-2019 | Cu2S(100)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex | Single point | DFT | - | -86.01617048; eV | |||
 | 7-Oct-2019 | Li2S(100)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex | Single point | DFT | - | -106.73120538; eV | |||
 | 7-Oct-2019 | Na2O(100)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex | Single point | DFT | - | -102.46506733; eV | |||
 | 7-Oct-2019 | KF(001)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.4.1; 24Jun15 (build Dec 04 2017 09:28:37) complex | Single point | DFT | - | -86.48133357; eV | |||
 | 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 | GeSe(001)_KNbO3(001) | Amaya Suárez, Javier | vasp; 5.4.1; 24Jun15 (build Nov 04 2017 10:34:10) complex | Single point | DFT | - | -87.08272717; eV |
Results 1-10 of 42 (Search time: 0.0 seconds).