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. |
---|---|---|---|---|---|---|---|---|---|---|---|
4-Aug-2022 | /Sampling Au-2O-nondefect-2ce3-pos_28_35-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -854.62794721; eV | ||||
4-Aug-2022 | /Sampling Au-2O-nondefect-2ce3-pos_30_32-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -854.48867247; eV | ||||
4-Aug-2022 | /Sampling Au-2O-nondefect-1ce3-pos_29-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -854.62915545; eV | ||||
4-Aug-2022 | /Sampling Au-2O-nondefect-2ce3-pos_29_31-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -854.62904231; eV | ||||
4-Aug-2022 | /Sampling Au-2O-nondefect-1ce3-pos_32-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -854.56136370; eV | ||||
4-Aug-2022 | /Sampling Au-2O-nondefect-1ce3-pos_36-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -854.47113791; eV | ||||
4-Aug-2022 | /Sampling Au-2O-nondefect-1ce3-pos_31-gamma | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Geometry optimization | DFT | - | -854.56103319; eV |
Results 1381-1387 of 1387 (Search time: 0.003 seconds).
Discover
Subject
- 1387 Ceria
- 1387 Configurational sampling
- 1387 DFT+U
- 1387 Polarons
- 1387 Reducible oxide
Method
- 1387 DFT