Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
12-Mar-2021 | /electric-field Cu(100)-2sqrt2xsqrt2-Clean-el-0_20 | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -55.90980647; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-8l-CO-B-U-1_75-O | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -132.45565080; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-8l-CO-B-U-1_75-C | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -132.57585271; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-8l-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 | - | -132.48487142; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-10l-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 | - | -163.46058365; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-8l-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 | - | -132.27658811; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-8l-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 | - | -132.43650896; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-8l-CO-T-U-2_00-C | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -132.35004301; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-10l-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 | - | -163.41688670; eV | ||||
12-Mar-2021 | /hubbard-correction Cu(100)-2x2-8l-CO-T-U-2_00-O | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -132.17917804; eV |
Results 211-220 of 220 (Search time: 0.002 seconds).
Discover
Subject
Method
- 220 DFT