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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Jan-2022 | /benchmark-CO-adsorption Ni(100)-3x3-PBE-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -368.75094723; eV | |||
 | 19-Jan-2022 | /benchmark-CO-adsorption Ni(100)-3x3-BEEF-Clean | Dattila, Federico | vasp; 5.3.5; 31Mar14 (build May 05 2016 10:50:16) complex | Geometry optimization | DFT | - | -289.90211575; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-1-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -367.82570715; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-2-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -366.67092828; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-3-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -365.33338415; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-5-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -362.24126487; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-2-surface-energy | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -361.07654248; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-1-surface-energy | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -362.11196817; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-0-surface-energy | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -362.90606410; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-15-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -344.29479624; eV |
Results 101-110 of 817 (Search time: 0.002 seconds).