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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-20-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -336.37426284; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-10-Clean | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -352.94127932; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-20-surface-energy | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -328.71193145; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-15-surface-energy | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -339.39268210; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-10-surface-energy | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -347.97550602; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-5-surface-energy | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -356.93497403; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-3-surface-energy | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -359.84363878; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-0-O | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -374.04825487; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-1-O | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -373.34004700; eV | |||
 | 19-Jan-2022 | /surface-strain Ni(100)-3x3-strained-2-O | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -372.40110122; eV |
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