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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-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 | ||||
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 |
Results 91-100 of 648 (Search time: 0.002 seconds).