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. |
---|---|---|---|---|---|---|---|---|---|---|---|
22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_13_5 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -137.97761353; eV | ||||
22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_14_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -132.27287309; eV | ||||
22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_13_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -137.89145768; eV | ||||
22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_14_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -131.76856577; eV | ||||
22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_14_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -131.76725243; eV | ||||
22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_8_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -168.50654007; eV | ||||
22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_8_2 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -168.95746598; eV | ||||
22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_8_4 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -168.49993306; eV | ||||
22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_9_3 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -162.15321034; eV | ||||
22-Mar-2023 | /ini_data_source/CuxO/bulk POSCAR_8_1 | Lian, Zan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | Geometry optimization | DFT | - | -167.87438543; eV |
Results 11-20 of 878 (Search time: 0.001 seconds).
Discover
Program name
- 878 vasp
Calculation type