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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Mar-2021 | /hubbard-correction Cu(100)-2x2-4l-CO-B-U-1_50-O | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -71.38727960; eV | |||
 | 12-Mar-2021 | /electric-field Cu(100)-c5sqrt2xsqrt2-3CO-BT-el-0_40 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -234.78312020; eV | |||
 | 12-Mar-2021 | /electric-field Cu(100)-c5sqrt2xsqrt2-3CO-BT-el-0_20 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -234.49121705; eV | |||
 | 12-Mar-2021 | /electric-field Cu(100)-6x2-10CO-4T6B-el-0_60 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -324.97520447; eV | |||
 | 12-Mar-2021 | /electric-field Cu(100)-6x2-10CO-4T6B-el-0_40 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -324.43270155; eV | |||
 | 12-Mar-2021 | /electric-field Cu(100)-4x2-6CO-4T2B-el-0_60 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -206.61102714; eV | |||
 | 12-Mar-2021 | /electric-field Cu(100)-4x2-6CO-4T2B-el-0_40 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -206.25818575; eV | |||
 | 12-Mar-2021 | /hubbard-correction Cu(100)-2x2-4l-CO-T-U-1_25-C | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -71.56653209; eV | |||
 | 12-Mar-2021 | /electric-field Cu(100)-8x2-14CO-6T8B-el-0_60 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -443.09220670; eV | |||
 | 12-Mar-2021 | /electric-field Cu(100)-8x2-14CO-8T6B-el-0_20 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -441.89064353; eV |
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