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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)-2x2-6l-CO-B-U-1_50-C | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -102.13630884; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-4l-CO-B-U-2_00-C | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -71.19013762; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-6l-CO-T-U-1_75-O | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -101.82866090; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-6l-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 | - | -102.22846210; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-4l-CO-B-U-2_00-O | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -71.02880016; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-6l-CO-T-U-1_75-C | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -101.95695144; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-6l-CO-T-U-1_25-O | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -102.18600356; eV | ||||
12-Mar-2021 | /electric-field Cu(100)-c5sqrt2xsqrt2-3CO-BT-el-0_60 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -235.21678458; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-4l-CO-T-U-1_75-O | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -71.16679748; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-4l-CO-B-U-1_50-C | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -71.46746016; eV |
Results 31-40 of 220 (Search time: 0.002 seconds).